SCHEMBL820370

SCHEMBL820370

COCC(C(=O)Cl)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A3 Q01959 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX1 P07099 2/20 0.32
CYP3A4 P08684 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 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
SCHEMBL819198 0.98 NPSR1 (0.41) NPSR1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL819818 0.81 ALDH1A1 (0.33) NPSR1CYP2C9CYP2C19HIF1ASLC6A3
SCHEMBL820265 0.81 NPSR1 (0.42) NPSR1EPHX2SMN1; SMN2SLC6A3CA12
SCHEMBL818669 0.80 ALDH1A1 (0.35) NPSR1CYP2C9CYP2C19HIF1ASLC6A3
SCHEMBL27823560 0.80 CYP2C9 (0.34) NPSR1CYP2C9CYP2C19HIF1ASLC6A3
SCHEMBL820501 0.80 EPHX1 (0.33) SMN1; SMN2CYP2C9CYP2C19HIF1ACA12
SCHEMBL12401977 0.79 NPSR1 (0.44) NPSR1EPHX2SMN1; SMN2SLC6A3CA12
SCHEMBL819467 0.79 NPSR1 (0.44) NPSR1EPHX2SMN1; SMN2SLC6A3CA12
SCHEMBL1698457 0.79 EPHX1 (0.48) NPSR1EPHX2SMN1; SMN2CYP2C9CYP2C19
SCHEMBL819304 0.79 EPHX1 (0.36) NPSR1SMN1; SMN2CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288488-B2 Process for producing solid catalyst component for olefin polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20110269929-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269928-A1 PROCESS FOR PRODUCING SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-03 US disclosed