SCHEMBL7187931

SCHEMBL7187931

CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccccc3C)c(C)cc12

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 10/20 0.87
▸ LDHB P07195 9/20 0.87
▸ CNR2 P34972 2/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ BCL2 P10415 2/20 0.38
▸ BCL2L1 Q07817 2/20 0.38
▸ MCL1 Q07820 2/20 0.38
▸ BCL2A1 Q16548 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ ME2 P23368 1/20 0.36
▸ ME1 P48163 1/20 0.36
▸ ME3 Q16798 1/20 0.36

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
SCHEMBL30417934 0.93 LDHA (1.00) LDHALDHBBCL2BCL2L1MCL1
SCHEMBL233361 0.93 LDHA (1.00) LDHALDHBBCL2BCL2L1MCL1
SCHEMBL7179530 0.86 LDHA (0.87) LDHALDHBBCL2L1ALB
SCHEMBL15322250 0.83 LDHA (0.82) LDHALDHBBCL2BCL2L1MCL1
SCHEMBL235873 0.82 LDHA (1.00) LDHALDHBALB
SCHEMBL7185727 0.81 LDHA (0.78) LDHALDHBBCL2L1
SCHEMBL7180825 0.81 LDHA (0.86) LDHALDHBCNR2GPR55ALB
SCHEMBL2754182 0.79 LDHA (0.71) LDHALDHBALB
SCHEMBL7179562 0.76 LDHA (1.00) LDHALDHBCNR2GPR55BCL2
SCHEMBL7180813 0.76 LDHA (0.70) LDHALDHBCNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980350-A4 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES UNIV NEW MEXICO (US) 2003-01-02 — — EP disclosed
EP-0980350-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES The University of New Mexico (US) 2000-02-23 — — EP disclosed
WO-1998049130-A2 HYDROXYNAPHTHOIC ACIDS AND DERIVATIVES THE UNIVERSITY OF NEW MEXICO (US) 1998-11-05 — — WO disclosed
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