SCHEMBL5048783

SCHEMBL5048783

CCCc1ccc(Cc2ccc(CCC)cc2CCC)c(CCC)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ALOX5 P09917 2/20 0.44
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PLK1 P53350 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
BACE1 P56817 1/20 0.37
CA2 P00918 1/20 0.36
AKT1 P31749 1/20 0.35
VDR P11473 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL9740304 0.91 CNR1 (0.50) CNR1CNR2ALOX5LPLLIPG
SCHEMBL11720734 0.83 CNR1 (0.48) CNR1CNR2ALOX5LPLLIPG
SCHEMBL5255675 0.83 CNR1 (0.44) CNR1CNR2ALOX5LPLLIPG
SCHEMBL5054848 0.83 SKP2 (0.48) PLK1CA2
SCHEMBL18242292 0.83 CNR1 (0.44) CNR1CNR2ALOX5LPLLIPG
SCHEMBL18242761 0.81 ALOX5 (0.45) CNR1CNR2ALOX5LPLLIPG
SCHEMBL18378516 0.81 CNR1 (0.42) CNR1CNR2ALOX5LPLLIPG
SCHEMBL8093445 0.81 CYP3A4 (0.50) BACE1CA2
SCHEMBL8085170 0.81 GFER (0.45) BACE1
SCHEMBL9355513 0.79 ESR1 (0.50) ALOX5LPLLIPGMGLL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1947725-A2 Polymer electrolyte composition and fuel cell Sumitomo Chemical Company, Limited (JP) 2008-07-23 EP disclosed
US-20060257706-A1 POLYMER ELECTROLYTE COMPOSITION AND FUEL CELL HIDAKA YASUAKI 2006-11-16 US disclosed
EP-1289041-A2 Polymer electrolyte composition and fuel cell SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-05 EP disclosed