SCHEMBL10014201

SCHEMBL10014201

CC1CCC(c2cc(F)c(-c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
CHEK1 O14757 1/20 0.40
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 3/20 0.37
NISCH Q9Y2I1 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PHKG2 P15735 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKCD Q05655 1/20 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
SCHEMBL18392461 0.96 MMP12 (0.39) MMP12CHEK1EPHX2L3MBTL1GRIN2B
SCHEMBL18735531 0.93 MMP12 (0.37) MMP12CHEK1EPHX2L3MBTL1GRIN2B
SCHEMBL18392489 0.91 MMP12 (0.41) MMP12CHEK1EPHX2L3MBTL1GRIN2B
SCHEMBL19415113 0.88 FFAR4 (0.40) MMP12CHEK1EPHX2JAK2ROCK2
SCHEMBL6452622 0.88 CHEK1 (0.36) MMP12CHEK1EPHX2L3MBTL1GRIN2B
SCHEMBL6452628 0.88 CHEK1 (0.36) MMP12CHEK1EPHX2L3MBTL1GRIN2B
SCHEMBL16579011 0.86 KDM1A (0.37) MMP12L3MBTL1GRIN2BNISCHTRPV1
SCHEMBL7913867 0.85 ALDH1A1 (0.39) MMP12CHEK1EPHX2TRPV1ESR2
SCHEMBL16579012 0.85 CYP2C9 (0.38) MMP12L3MBTL1GRIN2BNISCHTRPV1
SCHEMBL10014150 0.84 PDE2A (0.37) EPHX2GRIN2BGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238775-B2 Switch element comprising a liquid-crystalline medium MERCK PATENT GMBH (DE) 2016-01-19 US disclosed
US-9222023-B2 Liquid crystal composition and display device thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-12-29 US disclosed
US-20150076405-A1 LIQUID CRYSTAL COMPOSITION AND DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2015-03-19 US disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed