SCHEMBL8045328

SCHEMBL8045328

CCCCCC1CCC(c2ccc(C(=O)O)c(-c3ccccc3-c3ccc(C#N)cc3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.44
PTPN11 Q06124 1/20 0.37
BRS3 P32247 2/20 0.35
FASN P49327 1/20 0.35
SCD5 Q86SK9 1/20 0.35
NAMPT P43490 1/20 0.35
CYP2C9 P11712 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL8043476 0.93 LTB4R2 (0.42) LTB4R2BRS3FASNSCD5CYP2C9
SCHEMBL8528511 0.92 LTB4R2 (0.41) LTB4R2FASNSCD5CYP2C9
SCHEMBL8527592 0.85 CYP2C9 (0.44) LTB4R2FASNSCD5CYP2C9
SCHEMBL8676752 0.85 CYP2C9 (0.44) LTB4R2FASNSCD5CYP2C9
SCHEMBL4651871 0.82 LTB4R2 (0.46) LTB4R2PTPN11BRS3CHRM3
SCHEMBL8528513 0.81 CYP2C9 (0.46) CYP2C9
SCHEMBL7514456 0.80 RARB (0.39)
SCHEMBL8677220 0.80 RARB (0.39)
SCHEMBL28570299 0.79 ACMSD (0.39) PTPN11CYP2C9
SCHEMBL10355548 0.79 DHODH (0.43) LTB4R2PTPN11CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed