SCHEMBL11863250

SCHEMBL11863250

CCC(C)(C)c1cc(C=CC(=O)OC)cc(C(C)(C)CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.48
▸ APP P05067 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TYR P14679 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ GABBR2 O75899 2/20 0.47
▸ GABBR1 Q9UBS5 2/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ ALOX5 P09917 2/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MET P08581 2/20 0.42
▸ FDPS P14324 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL11863865 0.90 ALOX5 (0.47) TTRAPPCA12CA1CA2
SCHEMBL11863870 0.90 ALOX5 (0.47) TTRAPPCA12CA1CA2
SCHEMBL11859641 0.87 CYP3A4 (0.58) TTRAPPCA12CA1CA2
SCHEMBL27955696 0.85 APP (0.62) TTRAPPCA12CA1CA2
SCHEMBL5712558 0.84 GABBR2 (0.64) TTRAPPCA12CA1CA2
SCHEMBL5712559 0.84 GABBR2 (0.64) TTRAPPCA12CA1CA2
SCHEMBL11869441 0.84 GABBR2 (0.50) TTRAPPCA12CA1CA2
SCHEMBL9867608 0.83 CA12 (0.47) TTRAPPCA12CA1CA2
SCHEMBL11861585 0.83 CYP3A4 (0.54) TTRCA12CA1CA2CA7
SCHEMBL11864833 0.82 CYP3A4 (0.53) TTRAPPCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3953398-A 3,5-DI-TERT-ALKYL-4-HYDROXYCINNAMIC ACID OR ESTER AS STABILIZER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-27 — — US disclosed
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