SCHEMBL9759730

SCHEMBL9759730

CCCCc1cc(CC(CSCC(Cc2cc(CCCC)c(O)c(CCCC)c2)C(=O)O)C(=O)O)cc(CCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.40
ALOX5 P09917 4/20 0.40
PPARG P37231 4/20 0.40
EGFR P00533 1/20 0.38
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYR P14679 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL31327007 0.87 PPARG (0.48) PTGESALOX5PPARGEGFRPPARD
SCHEMBL2023493 0.86 PPARG (0.46) PTGESALOX5PPARGEGFRPPARD
SCHEMBL9449134 0.86 PPARG (0.47) PTGESALOX5PPARGEGFRPPARD
SCHEMBL18396181 0.83 PPARG (0.48) PTGESALOX5PPARGEGFRPPARD
SCHEMBL7211982 0.83 PPARG (0.40) PTGESALOX5PPARGEGFRPPARD
SCHEMBL1271148 0.83 PPARG (0.48) PTGESALOX5PPARGEGFRPPARD
SCHEMBL8517221 0.82 EGFR (0.43) PTGESALOX5PPARGEGFRALDH1A1
SCHEMBL31261059 0.80 EGFR (0.39) PTGESALOX5PPARGEGFRALDH1A1
SCHEMBL5318053 0.80 PPARG (0.43) PTGESALOX5PPARGPPARDPPARA
SCHEMBL10821783 0.78 PTGS2 (0.43) ALOX5PPARGPPARAHSD17B10TYR

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-5013711-A Thermal printing, isocyanurate antioxidant DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1991-05-07 US disclosed