SCHEMBL4453663

SCHEMBL4453663

CCCCc1ccccc1P(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
TLR8 Q9NR97 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PPARA Q07869 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TYR P14679 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL4451093 0.89 ADRA2A (0.34) LIPGALOX5PTGS2PPARACYP4F2
SCHEMBL4455991 0.84 LIPG (0.40) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL4460496 0.82 LIPG (0.39) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL4456016 0.82 LIPG (0.39) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL4452055 0.81 LTA4H (0.40) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL29409674 0.80 LIPG (0.46) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL6288562 0.80 LIPG (0.46) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL4460493 0.80 GABRA1 (0.38) CYP4F2CYP4A11
SCHEMBL15654923 0.79 LIPG (0.44) LIPGALOX5PTGS2TLR8CYP3A4
SCHEMBL10356638 0.79 LIPG (0.44) LIPGALOX5PTGS2TLR8CYP3A4

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