SCHEMBL7186222

SCHEMBL7186222

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 5/20 0.62
▸ LDHB P07195 5/20 0.62
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ DRD2 P14416 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
▸ PTPN1 P18031 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ ALOX5 P09917 3/20 0.35
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL7180813 0.85 LDHA (0.70) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL7176296 0.85 LDHA (0.65) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL7176551 0.79 LDHA (0.56) LDHALDHBALOX5
SCHEMBL7179558 0.78 LDHA (0.56) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL235873 0.77 LDHA (1.00) LDHALDHBPTPN1PTPN11
SCHEMBL7186216 0.73 LDHA (0.62) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL8011712 0.71 PPARA (0.42) LDHALDHBALDH1A1KDM4EHSD17B10
SCHEMBL7180420 0.71 ALOX5 (0.43) LDHALDHBALDH1A1PDE3BPDE3A
SCHEMBL5588802 0.70 LDHA (0.46) LDHALDHBALDH1A1MEN1KMT2A
SCHEMBL797087 0.69 LDHA (0.56) LDHALDHBALDH1A1KDM4EHPGD

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