SCHEMBL15975482

SCHEMBL15975482

Cc1ccc(CNC(=O)NC2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
RAB9A P51151 4/20 1.00
EPHX1 P07099 6/20 0.74
NPC1 O15118 3/20 0.72
MAPT P10636 2/20 0.69
HTT P42858 1/20 0.62
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MCHR1 Q99705 2/20 0.59
EPHX2 P34913 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL26156272 0.92 SMN1; SMN2 (0.85) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL15975494 0.85 EPHX1 (0.75) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL13588408 0.85 SMN1; SMN2 (0.74) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL12196171 0.85 EPHX1 (1.00) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL12196179 0.85 EPHX1 (1.00) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL6436349 0.84 EPHX1 (1.00) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL14859647 0.84 HPGD (0.72) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL4978994 0.84 SMN1; SMN2 (0.72) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL2752603 0.83 EPHX1 (0.97) HPGDSMN1; SMN2RAB9AEPHX1NPC1
SCHEMBL12196142 0.82 EPHX1 (1.00) HPGDSMN1; SMN2RAB9AEPHX1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed