SCHEMBL6470596

SCHEMBL6470596

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc([Si](C)(C)Cl)c1C2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLA2G1B P04054 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6472437 0.80 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL18261204 0.78 ALDH1A1 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL540936 0.76 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL29556735 0.75 CYP1A2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL540390 0.75 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL945914 0.75 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6471558 0.75 CYP1A2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30497613 0.75 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL27706470 0.75 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL540934 0.75 ALDH1A1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-6894132-B2 Polyolefin production ATOFINA RESEARCH S.A. (BE) 2005-05-17 US disclosed
US-20040087746-A1 Polyolefin production RAZAVI ABBAS (BE) 2004-05-06 US disclosed
US-6630550-B1 Olefin monomers polymerised using these catalysts to form syndiotactic/atactic block polymers of high molecular weight and comprising at least 70% of syndiotactic triads. FINA RESEARCH, S.A. (BE) 2003-10-07 US disclosed
EP-1224228-A1 POLYOLEFIN PRODUCTION ATOFINA Research (BE) 2002-07-24 EP disclosed
WO-2001019877-A1 POLYOLEFIN PRODUCTION ATOFINA RESEARCH (BE) 2001-03-22 WO disclosed
EP-1083188-A1 Catalyst and process for the preparation of syndiotactic / atactic block polyolefins FINA RESEARCH S.A. (BE) 2001-03-14 EP disclosed