SCHEMBL4455501

SCHEMBL4455501

CCc1cccc(OP(=O)(O)CCCC=O)c1CC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.35
AOX1 Q06278 1/20 0.33
SRC P12931 2/20 0.33
INPPL1 O15357 1/20 0.31
INPP5B P32019 1/20 0.31
INPP5A Q14642 1/20 0.31
HRH1 P35367 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PPARA Q07869 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
HTR2A P28223 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 0.92 AOX1 (0.38) CETPAOX1SRCINPPL1INPP5B
SCHEMBL4454814 0.86 CETP (0.44) CETPPPARATSHR
SCHEMBL4454583 0.86 LTB4R (0.41) CETPPPARATHRATHRB
SCHEMBL4454722 0.85 PPARA (0.38) CETPPPARAMAPTTHRATHRB
SCHEMBL4458020 0.83 SRC (0.35) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL4462593 0.83 CETP (0.37) CETPINPPL1INPP5BINPP5AGABRA1
SCHEMBL4454429 0.80 GABRA1 (0.38) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL4450349 0.79 ALOX5 (0.37) CETPAOX1PPARATSHRMAPT
SCHEMBL4451707 0.78 MAPT (0.49) PPARAMAPT
SCHEMBL4449947 0.78 LTB4R (0.37) CETPAOX1SRCINPPL1INPP5B

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