SCHEMBL6636593

SCHEMBL6636593

COc1ccc(C(=O)O)cc1C(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA4 P22748 1/20 0.67
CA6 P23280 1/20 0.67
CA7 P43166 1/20 0.67
TPMT P51580 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 3/20 0.62
HTT P42858 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 3/20 0.61
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 2/20 0.57
TTR P02766 2/20 0.54
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL12595464 0.89 HDAC1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL30462572 0.89 HDAC1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL29446743 0.89 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL901309 0.89 CA12 (0.71) CA12CA1CA2CA4CA6
SCHEMBL28007167 0.87 CA12 (0.69) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL11840020 0.87 CA12 (0.69) CA12CA1CA2CA4CA6
SCHEMBL20135484 0.85 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL29956237 0.85 AKR1C3 (0.64) CA12CA1CA2CA4CA6
SCHEMBL2087813 0.85 AKR1C3 (0.64) CA12CA1CA2CA4CA6
SCHEMBL7627294 0.84 ALDH1A1 (0.52) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144409-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
US-6596730-B1 Phenyl urea and phenyl thiourea derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-22 US disclosed
EP-1102769-B1 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-1144409-A2 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-17 EP disclosed
EP-1102769-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM PLC (GB) 2001-05-30 EP disclosed
WO-2000047580-A2 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-2000008020-A2 TRICYCLIC CARBOXAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-17 WO disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed