SCHEMBL2929207

SCHEMBL2929207

Cc1cccc(C)c1COc1ccc2c(-c3ccc(C(C)CO)cc3)cc(C(=O)O)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.57
FFAR1 O14842 1/20 0.41
ALOX5 P09917 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL2934240 0.89 P2RY14 (0.65) P2RY14ALOX5MRGPRX4NR1H4LTB4R
SCHEMBL2927190 0.88 P2RY14 (0.64) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2932632 0.86 P2RY14 (0.64) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL2935431 0.86 P2RY14 (0.61) P2RY14ALOX5NR1H4LTB4RLTB4R2
SCHEMBL2927585 0.84 P2RY14 (0.59) P2RY14FFAR1ALOX5LTB4RLTB4R2
SCHEMBL2933902 0.84 P2RY14 (0.59) P2RY14ALOX5MRGPRX4NR1H4LTB4R
SCHEMBL2929206 0.83 P2RY14 (0.58) P2RY14ALOX5
SCHEMBL2933139 0.80 P2RY14 (0.56) P2RY14ALOX5MRGPRX4LTB4RLTB4R2
SCHEMBL13057709 0.80 P2RY14 (0.53) P2RY14MRGPRX4LTB4RLTB4R2
SCHEMBL2957088 0.79 P2RY14 (0.53) P2RY14ALOX5

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-2229373-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY Merck Frosst Canada Ltd. (CA) 2010-09-22 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed