SCHEMBL17827787

SCHEMBL17827787

CCc1ccc(-c2ccc(-c3ccc(CC4CC4)cc3)c(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CHKA P35790 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
MLNR O43193 2/20 0.33
CYP3A4 P08684 2/20 0.33
RPS6KB1 P23443 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
SCHEMBL29334638 0.91 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21609916 0.87 MPL (0.38) CHKA
SCHEMBL21609918 0.87 KEAP1 (0.38) CHKAS1PR1S1PR5
SCHEMBL21911280 0.85 CHKA (0.35) CHKABRD9MAPK14MLNRCYP3A4
SCHEMBL21677977 0.84 GRM2 (0.37) CHKAS1PR1S1PR5GCGRMAPK14
SCHEMBL13405763 0.84 LMNA (0.43) CHKAS1PR1S1PR5GCGRMAPK14
SCHEMBL17827768 0.83 FFAR4 (0.39) S1PR1
SCHEMBL27027375 0.82 BRD9 (0.31) CHKABRD9
SCHEMBL24300911 0.82 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31276928 0.82 GBA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
US-20230242817-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POYLMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-03 US disclosed
EP-4219656-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS Merck Patent GmbH (DE) 2023-08-02 EP disclosed
US-20210355382-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND LIQUID CRYSTAL DISPLAY SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-11-18 US disclosed
WO-2021134961-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY 石家庄诚志永华显示材料有限公司 2021-07-08 WO disclosed
US-10519377-B1 Liquid crystal composition of negative monomer containing cyclopentyl cyclohexenyl and liquid crystal display element or liquid crystal display thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-12-31 US disclosed
US-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed