SCHEMBL9763900

SCHEMBL9763900

CCCC1CCC(c2c(C(=O)O)cccc2-c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.41
KEAP1 Q14145 2/20 0.40
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DHODH Q02127 4/20 0.36
NOTUM Q6P988 1/20 0.35
LTB4R2 Q9NPC1 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
SCHEMBL9763895 1.00 NFE2L2 (0.41) NFE2L2KEAP1CYP2C9ALDH1A1LMNA
SCHEMBL9763855 0.94 NFE2L2 (0.40) NFE2L2KEAP1FFAR4CHRM3CHRM2
SCHEMBL9763859 0.94 NFE2L2 (0.40) NFE2L2KEAP1FFAR4CHRM3CHRM2
SCHEMBL9764275 0.93 NFE2L2 (0.41) NFE2L2KEAP1FFAR4CHRM3CHRM2
SCHEMBL9764278 0.93 NFE2L2 (0.41) NFE2L2KEAP1FFAR4CHRM3CHRM2
SCHEMBL9764355 0.92 NFE2L2 (0.40) NFE2L2KEAP1FFAR4LTB4R2
SCHEMBL9763570 0.92 NFE2L2 (0.40) NFE2L2KEAP1FFAR4LTB4R2
SCHEMBL9763638 0.92 NFE2L2 (0.40) NFE2L2KEAP1FFAR4LTB4R2
SCHEMBL9763995 0.92 NFE2L2 (0.40) NFE2L2KEAP1FFAR4LTB4R2
SCHEMBL9763643 0.92 NFE2L2 (0.40) NFE2L2KEAP1FFAR4LTB4R2

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
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed