SCHEMBL9752678

SCHEMBL9752678

CCCCC(=O)c1c(O)cc(O)c(C(C)=O)c1O

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.75
PLA2G5 P39877 2/20 0.75
FFAR1 O14842 2/20 0.75
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PAK1 Q13153 1/20 0.51
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
ELANE P08246 5/20 0.47
FASN P49327 1/20 0.45
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
PRKCI P41743 1/20 0.44
HSD17B3 P37058 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 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
SCHEMBL9752830 0.93 PLA2G2A (0.86) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL31040547 0.88 PLA2G2A (0.77) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL9752583 0.87 PLA2G2A (0.96) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL10911577 0.87 PLA2G2A (0.71) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL14924223 0.86 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
Didodecanoylphloroglucinol SCHEMBL9188500 0.86 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL9752843 0.86 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL9752712 0.86 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL31040532 0.83 FFAR1 (0.61) PLA2G2APLA2G5FFAR1MEN1KMT2A
SCHEMBL29029841 0.83 PLA2G2A (0.70) PLA2G2APLA2G5FFAR1MEN1KMT2A

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
CN-118439942-A M-benzene three-class compound and preparation method and application thereof 广东药科大学 2024-08-06 CN disclosed
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed