SCHEMBL4667307

SCHEMBL4667307

C=C(c1ccc(N=C=O)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TSHR P16473 1/20 0.42
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL3807677 0.81 CYP3A4 (0.39) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL4935768 0.79 CYP3A4 (0.47) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL330724 0.78 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL8461563 0.77 MAPT (0.35)
SCHEMBL13811504 0.75 CYP3A4 (0.52) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL11796884 0.74 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL9546404 0.74 TRPA1 (0.33) TRPA1
SCHEMBL10488686 0.73 CYP3A4 (0.54) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL219763 0.72 NOS3 (0.55) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL15430 0.72 CYP3A4 (0.70) CYP3A4TSHRTRPA1MAPK1TDP1

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
EP-1941518-A1 METHOD FOR ELECTRICAL INSULATION VIA APPLYING A POLY (ARYLENE ETHER) COMPOSITION AND INSULATED ELECTRICAL CONDUCTOR General Electric Company (US) 2008-07-09 EP disclosed
WO-2007037940-A1 METHOD FOR ELECTRICAL INSULATION VIA APPLYING A POLY (ARYLENE ETHER) COMPOSITION AND INSULATED ELECTRICAL CONDUCTOR GENERAL ELECTRIC COMPANY (US) 2007-04-05 WO disclosed