SCHEMBL818909

SCHEMBL818909

C=CCOc1ccc(C(C)(C)c2c(Br)c(Br)c(O)c(Br)c2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 5/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL27156 0.87 NPC1 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL11189152 0.82 NQO1 (0.44) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL4570343 0.80 CA12 (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL824168 0.80 CA12 (0.49) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL1825311 0.79 ESR1 (0.53) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL29657179 0.79 ALDH1A1 (0.38) SMN1; SMN2TP53ALDH1A1KDM4EHPGD
SCHEMBL7199396 0.79 HTT (0.46) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL3618538 0.79 HPGD (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10595211 0.77 MAPK1 (0.41) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL9742852 0.76 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358798-B2 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM VERSALIS SPA (IT) 2021-08-18 EP disclosed
US-10961365-B2 Compositions of expandable vinyl aromatic polymers with an improved thermal insulation capacity, process for their production and expanded articles obtained therefrom VERSALIS S.P.A. (IT) 2021-03-30 US disclosed
US-20180273717-A1 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM POLIMERI EUROPA S.P.A. (IT) 2018-09-27 US disclosed
EP-2358798-B1 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM VERSALIS SPA (IT) 2015-02-11 EP disclosed
US-20110284793-A1 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM POLIMERI EUROPA S.P.A. (IT) 2011-11-24 US disclosed
EP-2358798-A1 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM Polimeri Europa S.p.A. (IT) 2011-08-24 EP disclosed
WO-2010069584-A1 COMPOSITIONS OF EXPANDABLE VINYL AROMATIC POLYMERS WITH AN IMPROVED THERMAL INSULATION CAPACITY, PROCESS FOR THEIR PRODUCTION AND EXPANDED ARTICLES OBTAINED THEREFROM POLIMERI EUROPA S.P.A. (IT) 2010-06-24 WO disclosed