SCHEMBL2045018

SCHEMBL2045018

CCCc1ccc(-c2ccc3c(c2)[CH]c2cc(-c4ccc(CCC)cc4)ccc2-3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ALOX5 P09917 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
CA2 P00918 1/20 0.36
RARB P10826 5/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
BDKRB2 P30411 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL2048604 0.89 RARB (0.49) MAPTNISCHCA2RARBRARA
SCHEMBL2051840 0.84 NPC1 (0.37) NPC1MAPTRAB9ALPLLIPG
SCHEMBL2049240 0.84 CTSS (0.41) CNR1CNR2ALOX5
SCHEMBL2039542 0.84 CNR1 (0.52) CNR1CNR2ALOX5LPLLIPG
SCHEMBL4802707 0.78 LPL (0.54) MCL1CNR1CNR2NPC1MAPT
SCHEMBL9512294 0.76 RARB (0.51) MCL1CNR1CNR2ALOX5NPC1
SCHEMBL19446457 0.76 MCL1 (0.45) MCL1CNR1CNR2ALOX5NPC1
SCHEMBL10603849 0.76 RARB (0.51) MCL1CNR1CNR2ALOX5NPC1
SCHEMBL3068452 0.76 PDK2 (0.45) CNR1CNR2ALOX5NPC1MAPT
SCHEMBL16377234 0.74 RARB (0.47) MCL1CNR1CNR2ALOX5NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152463-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed