SCHEMBL13329348

SCHEMBL13329348

CCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc(C4(c5ccc(OC(C)(CC)c6ccc(C(=O)c7ccc(C)cc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM5 P08912 1/20 0.37
MAPT P10636 1/20 0.36
MAPK14 Q16539 1/20 0.35
MMP13 P45452 3/20 0.33
KIF11 P52732 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SRD5A2 P31213 2/20 0.32
PPARG P37231 1/20 0.32
CASP1 P29466 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
SCHEMBL13602346 0.90 CHRM5 (0.36) NPC1RAB9APOLBCYP2C9CHRM5
SCHEMBL13668495 0.87 HTT (0.43) NPC1RAB9APOLBCYP2C9CHRM5
SCHEMBL13818940 0.85 RAB9A (0.46) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL13756849 0.84 PDK2 (0.33) NPC1RAB9APOLBCYP2C9CHRM5
SCHEMBL823246 0.84 PPARA (0.39) NPC1RAB9ACYP2C9CHRM5MAPT
SCHEMBL13818909 0.83 NPC1 (0.43) NPC1RAB9APOLBCYP2C9CHRM5
SCHEMBL13252913 0.82 SRD5A2 (0.46) POLBMAPTMAPK14MMP13KIF11
SCHEMBL822951 0.82 SRD5A2 (0.46) POLBMAPTMAPK14MMP13KIF11
SCHEMBL13663839 0.82 SRD5A2 (0.46) POLBMAPTMAPK14MMP13KIF11
SCHEMBL17808964 0.80 CHRM5 (0.39) CHRM5MAPTMAPK14MMP13KIF11

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-20100159351-A1 MEMBRANE-ELECTRODE ASSEMBLY, AND MEMBRANE-ELECTRODE-(GAS DIFFUSION LAYER) ASSEMBLY AND SOLID POLYMER FUEL CELL EACH COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED 2010-06-24 US disclosed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 US disclosed