SCHEMBL4458020

SCHEMBL4458020

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
INPPL1 O15357 1/20 0.34
INPP5B P32019 1/20 0.34
INPP5A Q14642 1/20 0.34
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4448502 0.86 AOX1 (0.38) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL4455068 0.85 LTB4R (0.39) SRCINPPL1INPP5BINPP5AMAPT
SCHEMBL4454429 0.84 GABRA1 (0.38) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL4455501 0.83 CETP (0.35) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL4451542 0.82 ALOX5 (0.39)
SCHEMBL4462593 0.82 CETP (0.37) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4454048 0.82 SRC (0.37) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL2150379 0.81 GABRA1 (0.41) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL761162 0.81 INPPL1 (0.53) SRCGABRA1GABRB2INPPL1INPP5B
SCHEMBL4446211 0.80 CYP2C19 (0.45) SRCGABRA1GABRB2INPPL1INPP5B

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