SCHEMBL4454429

SCHEMBL4454429

CCc1cccc(OP(=O)(O)CC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
INPPL1 O15357 1/20 0.38
INPP5B P32019 1/20 0.38
INPP5A Q14642 1/20 0.38
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2C19 P33261 1/20 0.33
SRC P12931 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1A P08908 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL4462593 0.87 CETP (0.37) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL2150379 0.86 GABRA1 (0.41) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL761162 0.86 INPPL1 (0.53) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4446211 0.85 CYP2C19 (0.45) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4454814 0.84 CETP (0.44) TSHR
SCHEMBL4458020 0.84 SRC (0.35) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL778577 0.84 L3MBTL1 (0.44) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4454426 0.83 GABRA1 (0.36) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4446405 0.83 LTB4R (0.41) INPPL1INPP5BINPP5ACCNT1CDK9
SCHEMBL761161 0.82 GABRA1 (0.39) GABRA1GABRB2INPPL1INPP5BINPP5A

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed