SCHEMBL9320902

SCHEMBL9320902

CCCCCCCC/C=C\CCCCCCCC(=O)NCc1ccc(OCCN)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.69
MAPT P10636 2/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
MTOR P42345 1/20 0.67
KMT2A Q03164 1/20 0.67
EPHX2 P34913 1/20 0.64
ALDH1A1 P00352 1/20 0.60
CNR1 P21554 2/20 0.58
CNR2 P34972 1/20 0.58

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
SCHEMBL9320992 0.94 TRPV1 (0.66) TRPV1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL29380131 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL30603561 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9323104 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL6700365 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9745596 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9740962 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9321719 0.89 EPHX2 (0.78) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9740839 0.87 EPHX2 (0.81) TRPV1MAPTHPGDMEN1TP53
SCHEMBL9320933 0.87 EPHX2 (0.74) TRPV1MAPTHPGDMEN1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US disclosed
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP disclosed