SCHEMBL2017743

SCHEMBL2017743

CCCC(c1cc(C(C)(C)C)c(O)c(C)c1C)c1cc(C(C)(C)C)c(O)c(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.62
CYP2C19 P33261 7/20 0.62
TP53 P04637 3/20 0.62
ALOX15 P16050 3/20 0.62
CYP2D6 P10635 2/20 0.62
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CA2 P00918 3/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
CYP1A2 P05177 3/20 0.40
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
HIF1A Q16665 4/20 0.39
HSPA5 P11021 2/20 0.39
CA1 P00915 2/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
LMNA P02545 3/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL5013719 0.87 CYP2C9 (0.59) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL2017741 0.87 CYP2C9 (0.62) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL14432017 0.81 CYP2C9 (0.52) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL19680384 0.81 CYP2C9 (0.52) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL70420 0.80 CYP2C9 (0.58) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL8922674 0.79 CYP2C9 (0.57) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL20602843 0.79 CYP2C9 (0.56) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL29381967 0.77 CYP2C9 (1.00) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL39107 0.77 CYP2C9 (1.00) CYP2C9CYP2C19TP53ALOX15CYP2D6
SCHEMBL29375990 0.77 CYP2C9 (1.00) CYP2C9CYP2C19TP53ALOX15CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022071281-A1 RUBBER COMPOSITION 株式会社大阪ソーダ 2022-04-07 WO disclosed
WO-2022071279-A1 RUBBER COMPOSITION 株式会社大阪ソーダ 2022-04-07 WO disclosed
EP-3733774-A1 RUBBER COMPOSITION OSAKA SODA CO., LTD. (JP) 2020-11-04 EP disclosed
EP-3029109-B1 CROSSLINKING COMPOSITION EXHIBITING EXCELLENT STORAGE STABILITY OSAKA SODA CO LTD (JP) 2018-01-31 EP disclosed
US-20160222161-A1 CROSSLINKING COMPOSITION EXHIBITING EXCELLENT STORAGE STABILITY OSAKA SODA CO., LTD. (JP) 2016-08-04 US disclosed
EP-3029109-A1 CROSSLINKING COMPOSITION EXHIBITING EXCELLENT STORAGE STABILITY Osaka Soda Co., Ltd. (JP) 2016-06-08 EP disclosed
US-8835566-B2 Rubber composition for vulcanization DAISO CO., LTD. (JP) 2014-09-16 US disclosed
EP-2083048-B1 RUBBER COMPOSITION FOR VULCANIZATION DAISO CO LTD (JP) 2013-01-02 EP disclosed
US-20110160344-A1 RUBBER COMPOSITION FOR VULCANIZATION Daisco Co. Ltd (JP) 2011-06-30 US disclosed
EP-2083048-A1 RUBBER COMPOSITION FOR VULCANIZATION DAISO CO., LTD. (JP) 2009-07-29 EP disclosed
US-20070031735-A1 Active material for cathode film, polyether polymer composition for cathode film, cathode film, and method for producing cathode film ZEON CORPORATION (JP) 2007-02-08 US disclosed
EP-1641060-A1 ACTIVE MATERIAL FOR CATHODE FILM, POLYETHER POLYMER COMPOSITION FOR CATHODE FILM, CATHODE FILM, AND METHOD FOR PRODUCING CATHODE FILM Zeon Corporation (JP) 2006-03-29 EP disclosed