SCHEMBL4456014

SCHEMBL4456014

CCCc1cccc(OP(=O)(Oc2cccc(CCC)c2CCC)c2ccccc2)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
LMNA P02545 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
SCHEMBL4462327 0.89 LTB4R (0.42) LTB4RLTB4R2L3MBTL1TDP1HTT
SCHEMBL17491593 0.86 PPARA (0.47) LTB4RLTB4R2HIF1A
SCHEMBL17491610 0.86 PPARA (0.47) LTB4RLTB4R2HIF1A
SCHEMBL4456019 0.86 LTB4R (0.44) LTB4RLTB4R2L3MBTL1HTTMEN1
SCHEMBL4458068 0.85 LTB4R (0.41) LTB4RLTB4R2L3MBTL1HTTMEN1
SCHEMBL4452085 0.84 LTB4R (0.40) LTB4RLTB4R2L3MBTL1HTTMEN1
SCHEMBL4455460 0.83 L3MBTL1 (0.46) L3MBTL1TDP1HTTMEN1KMT2A
SCHEMBL11807298 0.83 LTB4R (0.42) LTB4RLTB4R2
SCHEMBL4454706 0.82 LTB4R (0.39) LTB4RLTB4R2HIF1A
SCHEMBL4460756 0.81 LTB4R (0.41) LTB4RLTB4R2

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