SCHEMBL4935397

SCHEMBL4935397

C=C(C)C(=O)OCCNC(=O)Nc1ccc(-c2cccc3c(O)cccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR3A P46098 2/20 0.38
EPHX2 P34913 3/20 0.37
ROCK2 O75116 3/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 5/20 0.37
ROCK1 Q13464 2/20 0.37
CNR1 P21554 1/20 0.36
CASR P41180 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KIT P10721 1/20 0.35

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
SCHEMBL4935391 0.86 EPHX1 (0.43) MAPTCA12CA1CA2CA9
SCHEMBL3252322 0.84 TRPV1 (0.46) GAAMAPTCA12CA1CA2
SCHEMBL4930941 0.83 RAB9A (0.39) GAANPSR1HTR3AEPHX2ROCK2
SCHEMBL1735929 0.81 CNR1 (0.44) GAANPSR1EPHX2MAPTNAMPT
SCHEMBL10093564 0.80 CNR1 (0.49) GAANPSR1EPHX2MAPTCNR1
SCHEMBL3252273 0.80 NPSR1 (0.55) GAANPSR1MAPT
SCHEMBL3246106 0.79 GAA (0.54) GAANPSR1MAPTCNR1CASR
SCHEMBL23848315 0.78 MTNR1B (0.45) GAANPSR1MAPTNAMPTCNR1
SCHEMBL31151992 0.78 CNR1 (0.43) GAANPSR1EPHX2MAPTNAMPT
SCHEMBL10060673 0.78 CNR1 (0.43) GAANPSR1EPHX2MAPTNAMPT

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-20080182202-A1 Planographic printing plate material and resin used therein KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-31 US disclosed