SCHEMBL982478

SCHEMBL982478

O=C(O)c1ccc(C(=O)O)c2c1CC2.O=C(O)c1ccc(C(=O)O)c2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
GFER P55789 1/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
XDH P47989 1/20 0.40
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP4 P15090 3/20 0.38
FABP3 P05413 1/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL87519 0.97 CYP1A2 (0.57) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL3107923 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
Cyclohexane SCHEMBL1538047 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL973641 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL2034342 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL3091854 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL195800 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL250454 0.95 CYP1A2 (0.55) CYP1A2GFERALDH1A1ALOX15XDH
SCHEMBL251512 0.92 CYP1A2 (0.57) CYP1A2GFERALDH1A1ALOX15XDH
Cyclohexane SCHEMBL483378 0.92 CYP1A2 (0.57) CYP1A2GFERALDH1A1ALOX15SELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009950-A1 Block copolymer hot melt adhesive composition and method of filling a cavity MONSANTO COMPANY (US) 1980-04-16 EP claimed
US-4097445-A DENTISTRY, ALUMINUM, IRON, STEELS, ZINC MONSANTO COMPANY (US) 1978-06-27 US claimed
WO-2017089099-A1 PROCESS FOR THE PRODUCTION OF POLYETHER ESTER BLOCK COPOLYMERS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-01 WO disclosed
WO-2017063849-A1 POLYETHER ESTER BLOCK COPOLYMERS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-04-20 WO disclosed
US-9096728-B2 Heat insulating material TORAY INDUSTRIES, INC. (JP) 2015-08-04 US disclosed
US-20140031445-A1 HEAT INSULATING MATERIAL TORAY INDUSTRIES, INC. (JP) 2014-01-30 US disclosed
EP-2251373-B1 HEAT-INSULATING MATERIAL TORAY INDUSTRIES (JP) 2013-08-28 EP disclosed
US-20110008609-A1 HEAT INSULATING MATERIAL TORAY INDUSTRIES, INC. (JP) 2011-01-13 US disclosed
EP-2251373-A1 HEAT-INSULATING MATERIAL Toray Industries, Inc. (JP) 2010-11-17 EP disclosed