SCHEMBL7057534

SCHEMBL7057534

COc1cccc2c(C(=O)O)c(CC(C)(C)C)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ALDH1A1 P00352 5/20 0.42
MAOA P21397 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
TBXA2R P21731 2/20 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
SCHEMBL7909798 0.70 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1287495 0.69 CYP2C9 (0.60) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL6242920 0.69 EDNRA (0.50) CA12CA1CA2CA7CA9
SCHEMBL10372246 0.69 EDNRA (0.50) CA12CA1CA2CA7CA9
SCHEMBL11746504 0.69 MCL1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL7050225 0.68 PDE4D (0.62) CA12CA1CA2CA7CA9
SCHEMBL7948739 0.68 KDM4E (0.41) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.67 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL10127076 0.67 MAOA (0.59) CA12CA1CA2CA7CA9
SCHEMBL7948373 0.67 ALDH1A1 (0.51) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed