SCHEMBL2231978

SCHEMBL2231978

COc1ccc([C+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PKM P14618 2/20 0.39
NFE2L2 Q16236 1/20 0.36
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 3/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL813902 0.79 ACHE (0.37) NFE2L2ACHETDP1GAA
SCHEMBL125971 0.74
SCHEMBL1001143 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1001144 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1002707 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL2579597 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL3130436 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL3144432 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL1002708 0.73 CA4 (0.41) CA1CA2CA7CA9CA12
SCHEMBL7615794 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461270-B2 Olefin/aromatic vinyl copolymer, process for production thereof, resin compositions containing the copolymer, and stretched products of the copolymer IDEMITSU KOSAN CO., LTD. (JP) 2013-06-11 US disclosed
EP-2157108-B1 OLEFIN/AROMATIC VINYL COPOLYMER, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE COPOLYMER, AND STRETCHED PRODUCTS OF THE COPOLYMER IDEMITSU KOSAN CO (JP) 2013-02-20 EP disclosed
US-20110172366-A1 OLEFIN/AROMATIC VINYL COPOLYMER, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE COPOLYMER, AND STRETCHED PRODUCTS OF THE COPOLYMER IDEMITSU KOSAN CO., LTD. (JP) 2011-07-14 US disclosed
EP-2157108-A1 OLEFIN/AROMATIC VINYL COPOLYMER, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE COPOLYMER, AND STRETCHED PRODUCTS OF THE COPOLYMER Idemitsu Kosan Co., Ltd. (JP) 2010-02-24 EP disclosed
EP-0698619-B1 CATALYST FOR PRODUCING VINYL POLYMER AND PROCESS FOR PRODUCING VINYLAROMATIC POLYMER IDEMITSU KOSAN CO (JP) 2001-11-07 EP disclosed
EP-1004604-A2 Catalyst for production of vinyl-based polymer and process for production of vinyl-based aromatic polymer IDEMITSU KOSAN CO., LTD. (JP) 2000-05-31 EP disclosed
US-5858904-A Catalyst for production of vinyl-based polymer and process for production of vinyl-based aromatic polymer IDEMITSU KOSAN CO., LTD. (JP) 1999-01-12 US disclosed
EP-0698619-A1 CATALYST FOR PRODUCING VINYL POLYMER AND PROCESS FOR PRODUCING VINYLAROMATIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-02-28 EP disclosed