SCHEMBL1532553

SCHEMBL1532553

CCCCCCCCCCCCNCCOC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 3/20 0.62
S1PR2 O95136 6/20 0.50
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 6/20 0.50
S1PR4 O95977 5/20 0.50
S1PR5 Q9H228 1/20 0.50
EPHX1 P07099 3/20 0.44
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
KDM4E B2RXH2 2/20 0.44
PKM P14618 1/20 0.43
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27174200 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL20878393 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL20077441 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL19509413 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27174196 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27174199 1.00 ALDH1A1 (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL27425878 0.98 ALDH1A1 (0.65) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL11589699 0.91 TSHR (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL16509666 0.91 TSHR (0.62) ALDH1A1TSHRS1PR2S1PR1S1PR3
SCHEMBL800624 0.90

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575617-A1 USE OF TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING AN ACTIVE AGENT AND PERMEATION-ENHANCING BASE FOR THE MANUFACTURE OF A MEDICAMENT TO TREAT VARIOUS FORMS OF INFLAMMATORY DERMATOSIS Dermatrends, Inc. (US) 2005-09-21 EP claimed
EP-1558228-A1 TOPICAL ADMINISTRATION OF BASIC ANTIFUNGAL COMPOSITIONS TO TREAT FUNGAL INFECTIONS OF THE NAILS Dermatrends, Inc. (US) 2005-08-03 EP claimed
EP-1556008-A1 USE OF BASES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF DIFFERENT FORMS OF INFLAMMATORY DERMATOSIS Dermatrends, Inc. (US) 2005-07-27 EP claimed
EP-1429791-A4 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING DERMATRENDS INC (US) 2005-01-05 EP claimed
US-6821523-B2 APPLYING BASIC DRUGS TO SKINS FOR PROPHYLAXIS OF HUMAN PAPILLOMAVIRUS INFECTIONS; SKIN DISODERS DERMATRENDS, INC. 2004-11-23 US claimed
EP-1429791-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING Dermatrends, Inc. (US) 2004-06-23 EP claimed
WO-2004000359-A1 TOPICAL PHARMACEUTICAL COMPOSITION COMPRISING SKIN PENETRATION ENHANCERS FOR THE TREATMENT OF WARTS DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2004000360-A1 USE OF TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING AN ACTIVE AGENT AND PERMEATION-ENHANCING BASE FOR THE MANUFACTURE OF A MEDICAMENT TO TREAT VARIOUS FORMS OF INFLAMMATORY DERMATOSIS DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2004000291-A1 TOPICAL ADMINISTRATION OF BASIC ANTIFUNGAL COMPOSITIONS TO TREAT FUNGAL INFECTIONS OF THE NAILS DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2004000271-A1 USE OF BASES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF DIFFERENT FORMS OF INFLAMMATORY DERMATOSIS DERMATRENDS, INC. (US) 2003-12-31 WO claimed
US-20030235543-A1 Topical administration of pharmacologically active bases for skin lightening MAIBACH HOWARD I (US) 2003-12-25 US claimed
US-20030235627-A1 Topical administration of pharmacologically active bases in the treatment of warts TECHNOLOGY RECOVERY SYSTEMS, LLC 2003-12-25 US claimed
US-20030235626-A1 Topical administration of pharmacologically active bases in the treatment of inflammatory dermatoses TECHNOLOGY RECOVERY SYSTEMS, LLC 2003-12-25 US claimed
US-20030235542-A1 Topical administration of pharmacologically active bases for skin lightening MAIBACH HOWARD I (US) 2003-12-25 US claimed
US-20030099678-A1 Method and topical formulation for treating skin conditions associated with aging TECHNOLOGY RECOVERY SYSTEMS, LLC 2003-05-29 US claimed
US-20030077301-A1 Topical pharmaceutical composition for the treatment of inflammatory dermatoses DERMATRENDS, INC. 2003-04-24 US claimed
US-20030072814-A1 Topical pharmaceutical composition for the treatment of warts DERMATRENDS, INC. 2003-04-17 US claimed
US-20030072724-A1 Topical pharmaceutical composition to treat hyperpigmentation of the skin MAIBACH HOWARD I (US) 2003-04-17 US claimed
WO-2003026680-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING DERMATRENDS, INC. (US) 2003-04-03 WO claimed
US-20030059450-A1 Method and topical formulation for treating skin conditions associated with aging MAIBACH HOWARD I (US) 2003-03-27 US claimed