SCHEMBL7179562

SCHEMBL7179562

Cc1cc2c(C)c(O)c(O)c(C(=O)O)c2cc1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 10/20 1.00
▸ LDHB P07195 9/20 1.00
▸ CNR2 P34972 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ PTPN1 P18031 2/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ BCL2 P10415 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ MCL1 Q07820 1/20 0.43

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
SCHEMBL7183463 0.85 LDHA (1.00) LDHALDHB
SCHEMBL233361 0.83 LDHA (1.00) LDHALDHBPTPN1PTPN2PTPN6
SCHEMBL30417934 0.83 LDHA (1.00) LDHALDHBPTPN1PTPN2PTPN6
SCHEMBL7174190 0.80 LDHA (0.67) LDHALDHBCNR2GPR55
SCHEMBL7183958 0.80 LDHA (1.00) LDHALDHB
SCHEMBL15322250 0.78 LDHA (0.82) LDHALDHBPTPN1PTPN2PTPN6
SCHEMBL7180825 0.78 LDHA (0.86) LDHALDHBCNR2GPR55
SCHEMBL7179527 0.78 LDHA (0.86) LDHALDHBBCL2L1
SCHEMBL7187931 0.76 LDHA (0.87) LDHALDHBCNR2GPR55BCL2
SCHEMBL7179610 0.76 LDHA (1.00) LDHALDHB

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 4 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
US-6124498-A Hydroxynaphthoic acids and derivatives UNIVERSITY OF NEW MEXICO (US) 2000-09-26 — — US 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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