SCHEMBL4455891

SCHEMBL4455891

CCCc1cccc(P(=O)(Oc2ccccc2)Oc2ccccc2)c1CCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
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
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4454056 0.89 L3MBTL1 (0.40) L3MBTL1TDP1
SCHEMBL4460554 0.88 L3MBTL1 (0.47) L3MBTL1TDP1SRCMEN1KMT2A
SCHEMBL4455892 0.86 SRC (0.41) L3MBTL1SRCLTB4RLTB4R2CA12
SCHEMBL4460502 0.85 LTB4R (0.41) LTB4RLTB4R2
SCHEMBL4451705 0.84 LTB4R (0.38) L3MBTL1LTB4RLTB4R2MEN1KMT2A
SCHEMBL4454577 0.83 L3MBTL1 (0.46) L3MBTL1TDP1SRCMEN1KMT2A
SCHEMBL4462486 0.81 ELANE (0.34) LTB4RLTB4R2MEN1KMT2APPARA
SCHEMBL4449253 0.81 LTB4R (0.43) LTB4RLTB4R2PPARGPPARA
SCHEMBL4452198 0.80 MEN1 (0.47) LTB4RLTB4R2MEN1KMT2ACA12
SCHEMBL4458068 0.79 LTB4R (0.41) L3MBTL1LTB4RLTB4R2MEN1KMT2A

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