SCHEMBL7180813

SCHEMBL7180813

CCCc1c(OC)c(OC)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 7/20 0.70
LDHB P07195 7/20 0.70
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
HSP90AA1 P07900 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 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
SCHEMBL7176551 0.89 LDHA (0.56) LDHALDHBPPARGPPARDPPARA
SCHEMBL7186222 0.85 LDHA (0.62) LDHALDHBMEN1KMT2AATM
SCHEMBL7174190 0.84 LDHA (0.67) LDHALDHBCNR2GPR55MEN1
SCHEMBL30417934 0.82 LDHA (1.00) LDHALDHB
SCHEMBL233361 0.82 LDHA (1.00) LDHALDHB
SCHEMBL7180807 0.81 LDHA (0.71) LDHALDHBCNR2GPR55MEN1
SCHEMBL15322250 0.80 LDHA (0.82) LDHALDHB
SCHEMBL7176296 0.77 LDHA (0.65) LDHALDHBMEN1KMT2AATM
SCHEMBL7179530 0.76 LDHA (0.87) LDHALDHB
SCHEMBL7187931 0.76 LDHA (0.87) 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 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