SCHEMBL4448727

SCHEMBL4448727

CCc1cccc(P(=O)(OC)OC)c1CC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR1A P08908 1/20 0.33
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN5A Q14524 1/20 0.31
DHFR P00374 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4451733 0.84 MEN1 (0.50) GABRA1GABRB2MEN1KMT2AKCNH2
SCHEMBL4454668 0.82 L3MBTL1 (0.37) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL4448728 0.82 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2ATAAR1
SCHEMBL4462486 0.81 ELANE (0.34) GABRA1GABRB2MEN1KMT2A
SCHEMBL4451697 0.81 MEN1 (0.42) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL4460847 0.80 L3MBTL1 (0.40) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL4454577 0.80 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1HTT
SCHEMBL4452190 0.78 CYP3A4 (0.40) MEN1KMT2A
SCHEMBL4458091 0.78 MEN1 (0.33) GABRA1GABRB2MEN1KMT2ATAAR1
SCHEMBL4460811 0.78 PTGS2 (0.39)

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