SCHEMBL9254934

SCHEMBL9254934

CC(=O)Oc1ccc2c(c1)CCC(C(=O)O)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
PPARA Q07869 3/20 0.53
CYP4F2 P78329 5/20 0.47
CYP4A11 Q02928 5/20 0.47
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CYSLTR1 Q9Y271 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARD Q03181 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
TBXAS1 P24557 1/20 0.43
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL7296319 0.87 PPARG (0.51) PPARGPPARACYP4F2CYP4A11ALDH1A1
SCHEMBL7296313 0.87 PPARG (0.51) PPARGPPARACYP4F2CYP4A11ALDH1A1
SCHEMBL11523391 0.82 PPARG (0.65) PPARGPPARACYP4F2CYP4A11PPARD
SCHEMBL433940 0.80 CYP4F2 (0.50) PPARGPPARACYP4F2CYP4A11CYSLTR1
SCHEMBL7567839 0.80 CA2 (0.44) CYP4F2CYP4A11CA2CA5AALDH1A1
SCHEMBL4193774 0.78 ESR1 (0.56) PPARGPPARACYP4F2CYP4A11NFKB1
SCHEMBL7290410 0.78 ESR1 (0.56) PPARGPPARACYP4F2CYP4A11NFKB1
SCHEMBL5847422 0.77 CYP2D6 (0.52) CYP4F2CYP4A11MAPTSMN1; SMN2NFKB1
SCHEMBL5847418 0.77 CYP2D6 (0.52) CYP4F2CYP4A11MAPTSMN1; SMN2NFKB1
SCHEMBL5847426 0.77 CYP2D6 (0.52) CYP4F2CYP4A11MAPTSMN1; SMN2NFKB1

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-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed