SCHEMBL11547658

SCHEMBL11547658

C(=C/c1ccc(/C=C/c2ccccc2)c(/C=C/c2ccccc2)c1)\c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.56
NFE2L2 Q16236 4/20 0.50
MAOB P27338 3/20 0.50
CYP19A1 P11511 2/20 0.50
MAOA P21397 2/20 0.50
TRPA1 O75762 2/20 0.50
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
PTPN1 P18031 1/20 0.46
HNF4A P41235 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
SCHEMBL11547663 1.00 RELA (0.56) RELANFE2L2MAOBCYP19A1MAOA
Diethylamine SCHEMBL10429608 0.85 RELA (0.43) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL16687611 0.85 SRD5A1 (0.55) PTPN1HNF4A
SCHEMBL133329 0.84 APP (0.49) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL639671 0.84 RELA (0.54) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL639672 0.84 RELA (0.54) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL44503 0.82 NFE2L2 (0.68) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL44502 0.82 NFE2L2 (0.68) RELANFE2L2MAOBCYP19A1MAOA
SCHEMBL9540538 0.82 NFE2L2 (0.68) RELANFE2L2MAOBCYP19A1MAOA
(Z)-1,2-Diphenylethene SCHEMBL7653143 0.82 NFE2L2 (0.68) RELANFE2L2MAOBCYP19A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158099-A FROM SCHIFF BASES AND BIPHENYL COMPOUND CIBA-GEIGY AG (CH) 1979-06-12 US disclosed
US-3991049-A Aromatic compounds containing ethylene double bonds, processes for their manufacture and use CIBA-GEIGY AG (CH) 1976-11-09 US disclosed