SCHEMBL7094630

SCHEMBL7094630

COC(=O)C(C#N)CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.46
CTSC P53634 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4837691 0.91 CTSC (0.49) ANPEPCTSCKMT2A
SCHEMBL24861692 0.84 PLAAT3 (0.43) KMT2APKM
SCHEMBL10420113 0.83 GRIK1 (0.50) CTSC
SCHEMBL10523997 0.81 ANPEP (0.57) ANPEPCTSCCYP2C9CYP2C19KMT2A
SCHEMBL6216589 0.80 GRIK1 (0.48) CTSCLMNA
SCHEMBL1858600 0.80 GRIK1 (0.54) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL11206513 0.80 CYP2D6 (0.49) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL3489121 0.78 CYP2D6 (0.47) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL16379302 0.78 TSHR (0.53) CYP2D6CYP2C9CYP2C19KMT2ALMNA
SCHEMBL4200709 0.78 TSHR (0.53) CYP2D6CYP2C9CYP2C19KMT2ALMNA

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-1064065-B1 IMPROVED METHOD FOR ENRICHING OPTICAL ISOMERS BY MEANS OF SIMULATED MOBILE BED NOVASEP S A (FR) 2003-08-27 EP disclosed
US-6409923-B1 CHIRAL CHROMATOGRAPHY, CHARGE INCREASE COMBINED WITH AN APPROPRIATE MODIFICATION OF THE DISCHARGE FLOW NOVASEP S.A. (FR) 2002-06-25 US disclosed