SCHEMBL5053443

SCHEMBL5053443

CCC(C)(C)c1[c]c(Cc2[c]c(C(C)(C)CC)cc(C(C)(C)CC)c2)cc(C(C)(C)CC)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL5054603 0.81 SHBG (0.38) MAPK1SMN1; SMN2MAPT
SCHEMBL6162929 0.80 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL6678233 0.77 NPC1 (0.32) NPC1RAB9ALMNAMAPK1CASP3
Hydrochloric Acid SCHEMBL11729554 0.76 NPC1 (0.36) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL6567365 0.76 SHBG (0.37) MAPK1SMN1; SMN2MAPT
SCHEMBL7850423 0.74 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL1291247 0.74 GABRA1 (0.34)
SCHEMBL6567366 0.73 CNR2 (0.43)
SCHEMBL780091 0.71 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL15068155 0.71 NPC1 (0.33) NPC1RAB9ALMNAMAPK1CASP3

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-5391799-A Process for the preparation 6-chloro-2,4,8,10-tetra-butyldibenzo[d,f][1,3,2]dioxaphoshepin CIBA-GEIGY CORPORATION (US) 1995-02-21 US claimed
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
US-20010004657-A1 OLEFIN(CO-) POLYMER COMPOSITIONS AND METHOD FOR PRODUCING THE SAME ANDCATALYST FOR OLEFIN (CO-) POLYMERIZATION AND METHOD FOR PRODUCING THE SAME CHISSO CORPORATION (JP) 2001-06-21 US disclosed
US-5391799-A Process for the preparation 6-chloro-2,4,8,10-tetra-butyldibenzo[d,f][1,3,2]dioxaphoshepin CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed