SCHEMBL2850828

SCHEMBL2850828

CCP(CC)c1ccccc1-c1cccc(N)c1-c1ccccc1P(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
ADORA2A P29274 4/20 0.38
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PABPC1 P11940 2/20 0.33
HSPA1A P0DMV8 1/20 0.33
FGR P09769 1/20 0.33
PIM1 P11309 1/20 0.33
MAOA P21397 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
DYRK1A Q13627 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
MAPT P10636 3/20 0.32
DPP4 P27487 1/20 0.32
PDK2 Q15119 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 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
SCHEMBL4449690 0.81 TP53 (0.32) ALDH1A1L3MBTL1MAPTHSD17B10CYP3A4
SCHEMBL2851164 0.80 PTPRC (0.46) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL4438970 0.77 CYP3A4 (0.41) ALDH1A1L3MBTL1MAPTHSD17B10KDM4E
SCHEMBL2848640 0.76 PTPRC (0.42) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL2851947 0.76 PTPRC (0.46) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL2850111 0.74 PTPRC (0.43) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL1578324 0.70 PTPRC (0.67) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL28547340 0.70 PTPRC (0.67) PTPRCADORA2AALDH1A1L3MBTL1PABPC1
SCHEMBL5079306 0.70 DPP4 (0.39) ALDH1A1DPP4HSD17B10KDM4EMEN1
SCHEMBL2912079 0.70 TP53 (0.36) ALDH1A1KDM4ETSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US claimed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US claimed
US-8436111-B2 Nickel catalyst system for the preparation of high CIS polybutadiene BRIDGESTONE CORPORATION (JP) 2013-05-07 US disclosed
US-20100093920-A1 NICKEL CATALYST SYSTEM FOR THE PREPARATION OF HIGH CIS POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2010-04-15 US disclosed