SCHEMBL4454579

SCHEMBL4454579

CCc1cccc(P(=O)(O)Oc2ccccc2)c1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ANPEP P15144 2/20 0.39
LAP3 P28838 2/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4460850 0.85 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4454577 0.84 L3MBTL1 (0.46) SRCL3MBTL1ANPEPLAP3CA12
SCHEMBL4455892 0.84 SRC (0.41) SRCL3MBTL1ANPEPLAP3CYP2C19
SCHEMBL4454058 0.82 SRC (0.39) SRCL3MBTL1
SCHEMBL4448730 0.81 ALDH1A1 (0.38) CYP2C19ALDH1A1
SCHEMBL4448728 0.81 GABRA1 (0.39) LAP3CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4449871 0.80 LTB4R (0.39) ALDH1A1
SCHEMBL11039468 0.80 GABRA1 (0.38) CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL4451735 0.80 ALDH1A1 (0.50) ALDH1A1
SCHEMBL4458102 0.79 ALDH1A1 (0.40) L3MBTL1SMN1; SMN2ALDH1A1

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