SCHEMBL7174190

SCHEMBL7174190

COc1c(OC)c(C(=O)O)c2cc(Cc3ccccc3)c(C)cc2c1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 6/20 0.67
▸ LDHB P07195 6/20 0.67
▸ CNR2 P34972 3/20 0.48
▸ GPR55 Q9Y2T6 3/20 0.48
▸ CNR1 P21554 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ RXRA P19793 1/20 0.39

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
SCHEMBL7180807 0.85 LDHA (0.71) LDHALDHBCNR2GPR55MEN1
SCHEMBL7180813 0.84 LDHA (0.70) LDHALDHBCNR2GPR55SMN1; SMN2
SCHEMBL7179558 0.82 LDHA (0.56) LDHALDHBSMN1; SMN2MEN1ALDH1A1
SCHEMBL7179562 0.80 LDHA (1.00) LDHALDHBCNR2GPR55
SCHEMBL8026977 0.75 LDHA (0.74) LDHALDHB
SCHEMBL7176551 0.74 LDHA (0.56) LDHALDHBRXRA
SCHEMBL7194516 0.74 GPR55 (0.47) LDHALDHBCNR2GPR55CNR1
SCHEMBL7176330 0.72 LDHA (0.59) LDHALDHBSMN1; SMN2MEN1ALDH1A1
SCHEMBL7183463 0.72 LDHA (1.00) LDHALDHB
SCHEMBL30417934 0.70 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
Send feedback