SCHEMBL4456019

SCHEMBL4456019

CCCc1cccc(OP(=O)(O)c2ccccc2)c1CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PPARA Q07869 1/20 0.35
CFTR P13569 1/20 0.34
PPARD Q03181 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
SCHEMBL4462329 0.89 LTB4R (0.43) LTB4RLTB4R2HTTL3MBTL1HIF1A
SCHEMBL17491595 0.87 PPARA (0.48) LTB4RLTB4R2HIF1APPARA
SCHEMBL17491611 0.87 PPARA (0.48) LTB4RLTB4R2HIF1APPARA
SCHEMBL4458071 0.86 LTB4R (0.42) LTB4RLTB4R2HIF1APOLBALDH1A1
SCHEMBL4456014 0.86 LTB4R (0.43) LTB4RLTB4R2HTTL3MBTL1HIF1A
SCHEMBL4452087 0.85 LTB4R (0.41) LTB4RLTB4R2HIF1APOLBALDH1A1
SCHEMBL4455464 0.84 HTT (0.42) HTTL3MBTL1HIF1ACA12CA1
SCHEMBL30523469 0.84 INPPL1 (0.49) LTB4RLTB4R2ALDH1A1PPARA
SCHEMBL5959297 0.84 INPPL1 (0.49) LTB4RLTB4R2ALDH1A1PPARA
SCHEMBL4454710 0.83 LTB4R (0.40) LTB4RLTB4R2HIF1APOLBALDH1A1

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