SCHEMBL7185727

SCHEMBL7185727

CCCc1c(O)c(O)c(C(=O)O)c2cc(Cc3ccc(C(F)(F)F)cc3)c(C)cc12

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 9/20 0.78
▸ LDHB P07195 9/20 0.78
▸ DHODH Q02127 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.39
▸ SRD5A2 P31213 1/20 0.38
▸ ALOX5 P09917 1/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ RXRA P19793 1/20 0.35

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
SCHEMBL7179530 0.88 LDHA (0.87) LDHALDHBBCL2L1RXRA
SCHEMBL233361 0.88 LDHA (1.00) LDHALDHBBCL2L1
SCHEMBL30417934 0.88 LDHA (1.00) LDHALDHBBCL2L1
SCHEMBL7176551 0.85 LDHA (0.56) LDHALDHBSRD5A2ALOX5PPARG
SCHEMBL8026984 0.83 LDHA (1.00) LDHALDHBDHODHBCL2L1SRD5A2
SCHEMBL7187931 0.81 LDHA (0.87) LDHALDHBBCL2L1
SCHEMBL15322250 0.79 LDHA (0.82) LDHALDHBBCL2L1
SCHEMBL235873 0.78 LDHA (1.00) LDHALDHB
SCHEMBL2754182 0.74 LDHA (0.71) LDHALDHBPPARGPPARA
SCHEMBL7179562 0.72 LDHA (1.00) LDHALDHBBCL2L1

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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