SCHEMBL7183958

SCHEMBL7183958

Cc1cc2c(C)c(O)c(O)c(C(=O)O)c2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LDHA P00338 15/20 1.00
LDHB P07195 14/20 1.00
ALB P02768 3/20 0.56
CYP3A4 P08684 2/20 0.42
ACHE P22303 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL10706989 0.81 LDHA (0.67) LDHALDHBALBCYP3A4ACHE
SCHEMBL7179562 0.80 LDHA (1.00) LDHALDHB
SCHEMBL7181495 0.79 LDHA (1.00) LDHALDHBALBGLRA3GLRB
SCHEMBL7173943 0.79 LDHA (1.00) LDHALDHBALBCYP3A4MAPT
SCHEMBL6846916 0.76 LDHA (0.61) LDHALDHBALBCYP3A4ACHE
SCHEMBL19203138 0.76 LDHA (0.66) LDHALDHBALBCYP3A4
SCHEMBL235873 0.75 LDHA (1.00) LDHALDHBALBCYP3A4ACHE
SCHEMBL5590144 0.73 LDHA (0.57) LDHALDHBALBCYP3A4ACHE
SCHEMBL19193997 0.73 LDHA (0.56) LDHALDHBALBCYP3A4ACHE
SCHEMBL29555202 0.72 ALB (1.00) LDHALDHBALBCYP3A4MAPT

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