SCHEMBL4451779

SCHEMBL4451779

CCCCc1ccccc1P(=O)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
TSHR P16473 2/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
TLR8 Q9NR97 1/20 0.37
PPARA Q07869 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL4446442 0.89 PPARD (0.35) TSHRHIF1APPARA
SCHEMBL4460811 0.85 PTGS2 (0.39) TSHRALOX5PTGS2HIF1APPARA
SCHEMBL4452195 0.85 MEN1 (0.48) LIPGTSHR
SCHEMBL4454668 0.83 L3MBTL1 (0.37) TSHR
SCHEMBL4448616 0.83 MEN1 (0.45) LIPGTSHRHIF1A
SCHEMBL4451490 0.83 HIF1A (0.42) HIF1ACYP3A4
SCHEMBL4451718 0.82 L3MBTL1 (0.44) TSHRHIF1A
SCHEMBL10356310 0.80 LIPG (0.42) LIPGTSHRTLR8CYP3A4CYP2D6
SCHEMBL4456055 0.80 LIPG (0.34) LIPGTSHRHIF1ACYP3A4CYP2D6
SCHEMBL22345334 0.79 CYP3A4 (0.43) LIPGTSHRHIF1ACYP3A4CYP2D6

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