SCHEMBL4685909

SCHEMBL4685909

CCCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.67
ALDH1A1 P00352 3/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
S1PR1 P21453 1/20 0.60
EPHX2 P34913 1/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
GHSR Q92847 5/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL17189471 0.93 EPHX1 (0.72) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL468415 0.93 EPHX1 (0.72) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL15358666 0.93 EPHX1 (0.72) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL822126 0.93 EPHX1 (0.72) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL17189466 0.93 EPHX1 (0.72) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL10599703 0.90 MAPT (0.67) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL21766543 0.85 EPHX1 (0.62) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL11034317 0.85 EPHX1 (0.84) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL11033138 0.85 EPHX1 (0.84) EPHX1ALDH1A1HTTLMNAMAPT
SCHEMBL6438783 0.85 EPHX1 (0.84) EPHX1ALDH1A1HTTLMNAMAPT

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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed