SCHEMBL4448502

SCHEMBL4448502

CCc1cccc(OP(=O)(O)CCC=O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.38
SRC P12931 2/20 0.34
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CETP P11597 1/20 0.32
HTR2A P28223 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
BTN3A1 O00481 2/20 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
SCHEMBL4455501 0.92 CETP (0.35) AOX1SRCINPPL1INPP5BINPP5A
SCHEMBL4458020 0.86 SRC (0.35) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL4462593 0.85 CETP (0.37) INPPL1INPP5BINPP5AGABRA1GABRB2
SCHEMBL4449947 0.85 LTB4R (0.37) AOX1SRCINPPL1INPP5BINPP5A
SCHEMBL4450349 0.83 ALOX5 (0.37) AOX1CETPHTR2AHTR2CHTR2B
SCHEMBL4454814 0.83 CETP (0.44) CETP
SCHEMBL4454429 0.82 GABRA1 (0.38) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL4454048 0.80 SRC (0.37) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL2150379 0.79 GABRA1 (0.41) SRCINPPL1INPP5BINPP5AGABRA1
SCHEMBL761162 0.79 INPPL1 (0.53) SRCINPPL1INPP5BINPP5AGABRA1

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