SCHEMBL4826565

SCHEMBL4826565

CCC[C@H]1CC[C@H](c2c(C(=O)O)cccc2-c2cccc(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.42
DCLRE1B Q9H816 1/20 0.42
KEAP1 Q14145 2/20 0.42
HCRTR2 O43614 3/20 0.38
HCRTR1 O43613 2/20 0.38
CHRM3 P20309 3/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP2C9 P11712 1/20 0.38
GPR35 Q9HC97 2/20 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
SCHEMBL4828276 0.89 LTB4R2 (0.41) NFE2L2KEAP1LTB4R2CYP2C9
SCHEMBL9763895 0.87 NFE2L2 (0.41) NFE2L2KEAP1CHRM3LTB4R2CYP2C9
SCHEMBL9763900 0.87 NFE2L2 (0.41) NFE2L2KEAP1CHRM3LTB4R2CYP2C9
SCHEMBL4820159 0.83 KDM1A (0.38) NFE2L2KEAP1
SCHEMBL4650921 0.82 OPRL1 (0.39) CHRM3
SCHEMBL4826752 0.81 LTB4R2 (0.43) LTB4R2
SCHEMBL9447323 0.81 LTB4R2 (0.43) LTB4R2
SCHEMBL9763859 0.81 NFE2L2 (0.40) NFE2L2KEAP1CHRM3LTB4R2
SCHEMBL9763855 0.81 NFE2L2 (0.40) NFE2L2KEAP1CHRM3LTB4R2
SCHEMBL9764278 0.80 NFE2L2 (0.41) NFE2L2KEAP1CHRM3LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed