SCHEMBL11904891

SCHEMBL11904891

COc1ccc(-c2ccc(CCC(N)=O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.62
MAOB P27338 2/20 0.61
FFAR1 O14842 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC5A1 P13866 1/20 0.53
SLC5A2 P31639 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
ALOX5 P09917 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL1413843 0.95 F2RL1 (0.68) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL2169720 0.90 F2RL1 (0.62) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL659052 0.86 ALOX5 (0.68) F2RL1ALDH1A1POLBTAAR1ALOX5
SCHEMBL20019549 0.84 ALOX5 (0.61) F2RL1POLBTAAR1ALOX5
SCHEMBL1566761 0.84 FFAR1 (0.73) F2RL1MAOBFFAR1ALDH1A1POLB
SCHEMBL933946 0.83 ALOX5 (0.59) F2RL1POLBTAAR1ALOX5
SCHEMBL2277479 0.83 F2RL1 (0.67) F2RL1MAOBFFAR1ALDH1A1POLB
SCHEMBL13522667 0.83 ALOX5 (0.59) F2RL1POLBTAAR1ALOX5
SCHEMBL4712374 0.80 CYP1A2 (0.74) F2RL1ALDH1A1NFKB1NFKB2RELA
SCHEMBL7329940 0.80 F2RL1 (0.85) F2RL1FFAR1ALDH1A1POLBNFKB1

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
EP-2486030-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed