SCHEMBL4455464

SCHEMBL4455464

CCc1cccc(OP(=O)(O)c2ccccc2)c1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
CFTR P13569 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
INPPL1 O15357 1/20 0.35
INPP5B P32019 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
SCHEMBL779559 0.87 L3MBTL1 (0.46) HTTL3MBTL1CA2CA4CA5A
SCHEMBL11125084 0.85 HTT (0.39) HTTL3MBTL1HIF1AALDH1A1POLB
SCHEMBL4458102 0.85 ALDH1A1 (0.40) HTTL3MBTL1HIF1AALDH1A1POLB
SCHEMBL4455460 0.84 L3MBTL1 (0.46) HTTL3MBTL1CA2CA4CA5A
SCHEMBL4456019 0.84 LTB4R (0.44) HTTL3MBTL1CA2CA4CA5A
SCHEMBL761162 0.82 INPPL1 (0.53) ALDH1A1GABRA1GABRB2INPPL1INPP5B
SCHEMBL2150379 0.82 GABRA1 (0.41) HTTL3MBTL1ALDH1A1GABRA1GABRB2
SCHEMBL4462329 0.82 LTB4R (0.43) HTTL3MBTL1HIF1APOLB
SCHEMBL4454064 0.81 ALDH1A1 (0.38) HTTL3MBTL1HIF1AALDH1A1POLB
SCHEMBL4446211 0.81 CYP2C19 (0.45) HTTL3MBTL1ALDH1A1GABRA1GABRB2

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 6 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
EP-0013744-B1 CATALYST AND PROCESS FOR THE POLYMERIZATION OF ALPHA-OLEFINS AND A PROCESS FOR PREPARING AN ALPHA-OLEFIN POLYMERIZATION CATALYST COMPONENT Standard Oil Company (US) 1984-11-07 EP disclosed
US-4233182-A High activity catalyst for the polymerization of alpha-olefins STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
US-4233253-A Method for the preparation of metal salts of phosphorus acid esters STANDARD OIL COMPANY (INDIANA) (US) 1980-11-11 US disclosed
EP-0013744-A1 Catalyst and process for the polymerization of alpha-olefins and a process for preparing an alpha-olefin polymerization catalyst component Standard Oil Company (US) 1980-08-06 EP disclosed