SCHEMBL2234429

SCHEMBL2234429

COC(=O)[C@H](C/C=C/Cl)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
CA14 Q9ULX7 3/20 0.34
CA12 O43570 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL293294 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL295878 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL293293 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL295880 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL2234435 1.00 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12GRIK1GRIK2
SCHEMBL8090761 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL9978358 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978359 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978356 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9
SCHEMBL9978585 0.82 ALDH1A1 (0.34) GRIK1GRIK2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2171061-B1 PREPARATION OF AN ESTERASE DPX HOLDINGS BV (NL) 2017-09-27 EP disclosed
US-9309503-B2 Preparation of an esterase DPX HOLDINGS B.V. (NL) 2016-04-12 US disclosed
US-20110177553-A1 PREPARATION OF AN ESTERASE DPX HOLDINGS B.V. (NL) 2011-07-21 US disclosed
EP-2171061-A1 PREPARATION OF AN ESTERASE DSM IP Assets B.V. (NL) 2010-04-07 EP disclosed
WO-2009004093-A1 PREPARATION OF AN ESTERASE DSM IP ASSETS B.V. (NL) 2009-01-08 WO disclosed