SCHEMBL4446208

SCHEMBL4446208

CCc1cccc(OP(C)(=O)Oc2cccc(CC)c2CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.35
INPPL1 O15357 1/20 0.34
INPP5B P32019 1/20 0.34
INPP5A Q14642 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
XBP1 P17861 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL761161 0.89 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4446211 0.87 CYP2C19 (0.45) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL761162 0.85 INPPL1 (0.53) GABRA1GABRB2INPPL1INPP5BINPP5A
SCHEMBL4454426 0.85 GABRA1 (0.36) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL2150379 0.85 GABRA1 (0.41) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL778836 0.84 L3MBTL1 (0.48) GABRA1GABRB2L3MBTL1MAPTNPSR1
Zinc Ion SCHEMBL730988 0.84 GABRA1 (0.35) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4460756 0.82 LTB4R (0.41) HTR1A
SCHEMBL4454429 0.82 GABRA1 (0.38) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4462591 0.82 GABRA1 (0.34) GABRA1GABRB2L3MBTL1MAPTNPSR1

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