SCHEMBL4826396

SCHEMBL4826396

CCCCCC1CCC(c2c(C(=O)O)cccc2-c2ccc(CCC)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.42
BRS3 P32247 4/20 0.41
AGTR1 P30556 2/20 0.41
MCL1 Q07820 1/20 0.39
PPARG P37231 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL9447196 1.00 LTB4R2 (0.42) LTB4R2BRS3AGTR1MCL1PPARG
SCHEMBL4826752 0.92 LTB4R2 (0.43) LTB4R2BRS3MCL1PPARG
SCHEMBL9447323 0.92 LTB4R2 (0.43) LTB4R2BRS3MCL1PPARG
SCHEMBL4651871 0.85 LTB4R2 (0.46) LTB4R2BRS3
SCHEMBL4651858 0.82 LTB4R2 (0.46) LTB4R2BRS3AGTR1
SCHEMBL9764278 0.82 NFE2L2 (0.41) LTB4R2
SCHEMBL9764275 0.82 NFE2L2 (0.41) LTB4R2
SCHEMBL9764355 0.81 NFE2L2 (0.40) LTB4R2
SCHEMBL9763570 0.81 NFE2L2 (0.40) LTB4R2
SCHEMBL9764351 0.81 NFE2L2 (0.40) LTB4R2

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-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
US-5211878-A Difluorobenzonitrile derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-18 US disclosed