SCHEMBL7365590

SCHEMBL7365590

COc1cccc2cc(CC(C)(C)C=O)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP2A6 P11509 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL7050133 0.85 NPC1 (0.50) CA12CA1CA2CA9LMNA
Water SCHEMBL7364487 0.83 NPC1 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL1287539 0.81 LMNA (0.52) CA12CA1CA2CA9LMNA
SCHEMBL348215 0.77 LMNA (0.54) CA12CA1CA2CA9LMNA
SCHEMBL13607694 0.77 LMNA (0.51) CA12CA1CA2CA9LMNA
SCHEMBL72493 0.76 LMNA (0.53) CA12CA1CA2CA9LMNA
SCHEMBL6606644 0.76 LMNA (0.53) CA12CA1CA2CA9LMNA
SCHEMBL73352 0.76 LMNA (0.56) CA12CA1CA2CA9LMNA
SCHEMBL121110 0.76 LMNA (0.53) CA12CA1CA2CA9LMNA
SCHEMBL6837760 0.76 LMNA (0.47) CA12CA1CA2CA9LMNA

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-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
EP-0873331-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES Darwin Discovery Limited (GB) 1998-10-28 EP disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed
WO-1997020833-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LIMITED (GB) 1997-06-12 WO disclosed