SCHEMBL4458096

SCHEMBL4458096

CCCc1ccccc1P(=O)(OCC)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.38
NR1I2 O75469 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL4452195 0.90 MEN1 (0.48) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL4458074 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL4455340 0.87 MEN1 (0.54) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL8374437 0.87 LIPG (0.46) MEN1KMT2A
SCHEMBL4461987 0.85 HIF1A (0.42) MEN1KMT2A
SCHEMBL4452198 0.85 MEN1 (0.47) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL4446442 0.84 PPARD (0.35) MEN1KMT2APOLB
SCHEMBL18486629 0.82 MEN1 (0.61) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL1162637 0.82 MEN1 (0.44) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL5320308 0.82 MEN1 (0.51) MEN1KMT2APOLBNPSR1KCNH2

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