SCHEMBL4828276

SCHEMBL4828276

CCC[C@H]1CC[C@H](c2c(C(=O)O)cccc2-c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 11/20 0.41
CYP2C9 P11712 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NFE2L2 Q16236 5/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.37
LTB4R Q15722 7/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL4826565 0.89 NFE2L2 (0.42) LTB4R2CYP2C9NFE2L2KEAP1
SCHEMBL9447323 0.87 LTB4R2 (0.43) LTB4R2PPARG
SCHEMBL4826752 0.87 LTB4R2 (0.43) LTB4R2PPARG
SCHEMBL9763900 0.86 NFE2L2 (0.41) LTB4R2CYP2C9NFE2L2ALDH1A1LMNA
SCHEMBL9763895 0.86 NFE2L2 (0.41) LTB4R2CYP2C9NFE2L2ALDH1A1LMNA
SCHEMBL9842443 0.86 CYP2C9 (0.39) LTB4R2CYP2C9NFE2L2ALDH1A1LMNA
SCHEMBL4650931 0.85 LTB4R2 (0.43) LTB4R2CYP2C9ALDH1A1LMNAMAPT
SCHEMBL4820159 0.82 KDM1A (0.38) NFE2L2KEAP1
SCHEMBL9447196 0.80 LTB4R2 (0.42) LTB4R2PPARG
SCHEMBL9763855 0.80 NFE2L2 (0.40) LTB4R2NFE2L2KEAP1

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 4 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 claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
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