SCHEMBL4451537

SCHEMBL4451537

CCCc1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(CCC)c2CCC)c1CCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL11807298 0.91 LTB4R (0.42) LTB4RLTB4R2
SCHEMBL4446488 0.89 LTB4R (0.41) LTB4RLTB4R2MEN1KMT2AL3MBTL1
SCHEMBL30039980 0.88 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL1960391 0.88 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL381596 0.88 L3MBTL1 (0.44) MEN1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL2132927 0.86 MEN1 (0.39) MEN1KMT2AL3MBTL1
SCHEMBL1604331 0.86 LTB4R (0.44) LTB4RLTB4R2MEN1KMT2AL3MBTL1
SCHEMBL382052 0.86 LTB4R (0.44) LTB4RLTB4R2MEN1KMT2AL3MBTL1
SCHEMBL2132926 0.85 PPARA (0.39) LTB4RLTB4R2MEN1KMT2AL3MBTL1
SCHEMBL3836816 0.84 L3MBTL1 (0.42) MEN1KMT2AL3MBTL1CYP3A4TSHR

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