SCHEMBL4451733

SCHEMBL4451733

CCOP(=O)(OCC)c1cccc(CC)c1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.45
NPSR1 Q6W5P4 2/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL4451697 0.86 MEN1 (0.42) MEN1KMT2APOLBGABRA1GABRB2
SCHEMBL4448727 0.84 GABRA1 (0.38) MEN1KMT2ANPSR1GABRA1GABRB2
SCHEMBL4452190 0.83 CYP3A4 (0.40) MEN1KMT2A
SCHEMBL4455340 0.83 MEN1 (0.54) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL4451735 0.83 ALDH1A1 (0.50) MEN1KMT2APOLBNPSR1GABRA1
SCHEMBL4452198 0.81 MEN1 (0.47) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL4458091 0.80 MEN1 (0.33) MEN1KMT2AGABRA1GABRB2HSD17B10
SCHEMBL4460866 0.79 MEN1 (0.44) MEN1KMT2APOLB
SCHEMBL18486629 0.78 MEN1 (0.61) MEN1KMT2APOLBNPSR1KCNH2
SCHEMBL4460847 0.78 L3MBTL1 (0.40) MEN1KMT2ANPSR1GABRA1GABRB2

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