SCHEMBL4462591

SCHEMBL4462591

CCCP(=O)(Oc1cccc(CC)c1CC)Oc1cccc(CC)c1CC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TSHR P16473 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
BTN3A1 O00481 1/20 0.31
INPPL1 O15357 1/20 0.31
INPP5B P32019 1/20 0.31
INPP5A Q14642 1/20 0.31

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
SCHEMBL4454813 0.90 TSHR (0.39) TSHRALOX5PTGS2
SCHEMBL4454426 0.86 GABRA1 (0.36) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4462593 0.84 CETP (0.37) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4458043 0.84 LTB4R (0.40) L3MBTL1ALOX5PTGS2
SCHEMBL761161 0.82 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4446208 0.82 GABRA1 (0.39) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4448709 0.81 PTGS2 (0.40) TSHRALOX5PTGS2
SCHEMBL761162 0.79 INPPL1 (0.53) GABRA1GABRB2KDM4EHTR1AINPPL1
SCHEMBL2150379 0.79 GABRA1 (0.41) GABRA1GABRB2L3MBTL1MAPTNPSR1
SCHEMBL4454814 0.78 CETP (0.44) TSHRALOX5PTGS2

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