SCHEMBL1532449

SCHEMBL1532449

CCCCCCCCCCCCNCC(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
EPHX1 P07099 7/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
THRB P10828 1/20 0.35

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
SCHEMBL10495800 1.00 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL987948 1.00 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL1668578 1.00 TSHR (0.50) TSHRALDH1A1ANPEPERAP2EPHX1
Hydrochloric Acid SCHEMBL28147327 0.98 TSHR (0.48) TSHRALDH1A1ANPEPERAP2EPHX1
SCHEMBL6055711 0.91 TSHR (0.46) TSHRALDH1A1ANPEPERAP2EPHX1
Octanoic Acid SCHEMBL10495799 0.85 GPR84 (0.53) TSHRALDH1A1
SCHEMBL2497316 0.83 FAAH (0.42)
SCHEMBL2497320 0.83 FAAH (0.42)
SCHEMBL6525778 0.81 ANPEP (0.39) ANPEPADH1BADH1AADH7
SCHEMBL6488249 0.81 TSHR (0.48) TSHRALDH1A1ANPEPERAP2EPHX1

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-2004000268-A1 TOPICAL ADMINISTRATION OF PHARMACOLOGICALLY ACTIVE BASES IN THE TREATMENT OF WARTS DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2004000249-A1 TOPICAL PHARMACEUTICAL COMPOSITION TO TREAT HYPERPIGMENTATION OF THE SKIN DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2004000259-A1 TOPICAL ADMINISTRATION OF PHARMACOLOGICALLY ACTIVE BASES FOR SKIN LIGHTENING 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