SCHEMBL3721209

SCHEMBL3721209

COc1ccc(CNC(=O)O)cc1O

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.69
GAA P10253 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
TSHR P16473 2/20 0.64
KDM4E B2RXH2 1/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.54
FAAH O00519 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
ALOX12 P18054 1/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL14564764 0.87 TRPV1 (0.69) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL297477 0.87 ALDH1A1 (0.64) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL2936661 0.87 ALDH1A1 (0.78) ALDH1A1POLBMEN1APEX1KMT2A
SCHEMBL2853305 0.86 TRPV1 (0.68) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL27160492 0.84 GAA (0.60) TRPV1GAACYP3A4TSHRALDH1A1
SCHEMBL30646461 0.84 ERCC1 (0.69) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL28208051 0.82 TRPV1 (0.63) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL7370094 0.81 TRPV1 (0.61) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL5070307 0.81 TRPV1 (0.61) TRPV1GAACYP3A4ALOX15TSHR
SCHEMBL7372649 0.81 CYP3A4 (0.63) TRPV1GAACYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed