SCHEMBL4454309

SCHEMBL4454309

c1ccc(P(OC2CCC2)OC2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH1 P35367 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 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
SCHEMBL2940772 0.94 FABP7 (0.36) CYP3A4TDP1FABP7FABP5
SCHEMBL4458092 0.91 CYP3A4 (0.38) CYP3A4TDP1HRH1
SCHEMBL4451111 0.83 CYP3A4 (0.35) CYP3A4TDP1HRH1FABP7FABP5
SCHEMBL1726166 0.77 FABP7 (0.36) CYP3A4TDP1FABP7FABP5
SCHEMBL11027299 0.75 CYP3A4 (0.32) CYP3A4TDP1
SCHEMBL4457992 0.73 CYP3A4 (0.38) CYP3A4TDP1HRH1
SCHEMBL4450995 0.72 LMNA (0.33)
SCHEMBL4451483 0.71 HRH1 (0.37) HRH1
SCHEMBL11029955 0.70 CYP3A4 (0.35) CYP3A4TDP1
SCHEMBL5599006 0.69 HRH1 (0.38) CYP3A4TDP1HRH1

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