SCHEMBL4805633

SCHEMBL4805633

CC(C)(C)c1ccc(-c2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.68
TRPV1 Q8NER1 2/20 0.56
HCAR2 Q8TDS4 2/20 0.53
ESR1 P03372 2/20 0.53
CA12 O43570 1/20 0.53
AKR1B10 O60218 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
TYR P14679 1/20 0.53
AKR1B1 P15121 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
DPP4 P27487 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
ESR2 Q92731 1/20 0.53
CA14 Q9ULX7 1/20 0.53

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
SCHEMBL818742 0.94 CYP1A2 (0.75) CYP1A2TRPV1HCAR2ESR1CA12
SCHEMBL846833 0.94 CYP1A2 (0.75) CYP1A2TRPV1HCAR2ESR1CA12
SCHEMBL4001354 0.94 CYP1A2 (0.75) CYP1A2TRPV1HCAR2ESR1CA12
SCHEMBL6483089 0.88 CYP1A2 (0.53) CYP1A2TRPV1HCAR2ESR1HDAC3
SCHEMBL17321120 0.87 CYP1A2 (0.53) CYP1A2TRPV1HCAR2ESR1ESR2
SCHEMBL17321124 0.86 CYP1A2 (0.51) CYP1A2TRPV1HCAR2ESR1CA12
SCHEMBL4946181 0.84 HCAR2 (0.71) CYP1A2HCAR2ESR1CA12AKR1B10
SCHEMBL4946176 0.84 HCAR2 (0.71) CYP1A2HCAR2ESR1CA12AKR1B10
SCHEMBL13613882 0.84 CYP26B1 (0.62) CYP1A2TRPV1HCAR2ESR1CA12
SCHEMBL6570565 0.83 HCAR2 (0.59) CYP1A2TRPV1HCAR2ESR1CA12

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
US-7416821-B2 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. (US) 2008-08-26 US disclosed
EP-1743363-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FujiFilm Electronic Materials USA, Inc. (US) 2007-01-17 EP disclosed
US-20050238997-A1 Thermally cured undercoat for lithographic application FUJIFILM ELECTRONIC MATERIALS, U.S.A., INC. 2005-10-27 US disclosed
WO-2005089150-A2 THERMALLY CURED UNDERCOAT FOR LITHOGRAPHIC APPLICATION FUJIFILM ELECTRONIC MATERIALS USA INC. (US) 2005-09-29 WO disclosed