SCHEMBL5712866

SCHEMBL5712866

CCCCCCCCCCCCCCCCCCC1CNCCO1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
ALDH1A1 P00352 2/20 0.53
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
GBA1 P04062 3/20 0.39
CYP1A2 P05177 2/20 0.39
ADRA2C P18825 1/20 0.38
SPHK1 Q9NYA1 5/20 0.38
GUSB P08236 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
SPHK2 Q9NRA0 3/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL16652625 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1741117 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8657970 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL8661751 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL16652905 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL16652362 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4426423 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL17649948 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL4423889 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3
Fluoride SCHEMBL28247911 1.00 EPHX1 (0.60) EPHX1ALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117324125-A Compound flotation reagent for fluorite type lepidolite ore and application thereof 中南大学 2024-01-02 CN claimed
CN-108339494-B Cationic surfactant prepared from waste polyester and preparation method thereof 沈阳化工大学 2020-06-23 CN claimed
CN-108840841-A The method that cationic surfactant is prepared by waste polyester by supercritical methanol technology 沈阳化工大学 2018-11-20 CN claimed
CN-108339494-A A kind of cationic surfactant and preparation method thereof prepared using waste polyester 沈阳化工大学 2018-07-31 CN claimed
CN-108175720-A A kind of skin care item 宁夏医科大学 2018-06-19 CN claimed
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
EP-1429791-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING Dermatrends, Inc. (US) 2004-06-23 EP claimed
WO-2004000268-A1 TOPICAL ADMINISTRATION OF PHARMACOLOGICALLY ACTIVE BASES IN THE TREATMENT OF WARTS 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
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-2004000249-A1 TOPICAL PHARMACEUTICAL COMPOSITION TO TREAT HYPERPIGMENTATION OF THE SKIN DERMATRENDS, INC. (US) 2003-12-31 WO claimed
WO-2003026680-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING DERMATRENDS, INC. (US) 2003-04-03 WO claimed
CN-117324125-A Compound flotation reagent for fluorite type lepidolite ore and application thereof 中南大学 2024-01-02 CN disclosed
EP-0410659-A2 Method and composition to impart improved conditioning properties to the hair HELENE CURTIS, INC. (US) 1991-01-30 EP disclosed
US-4659565-A Amine oxide hair conditioner ETHYL CORPORATION (US) 1987-04-21 US disclosed