SCHEMBL31040540

SCHEMBL31040540

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

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.69
PLA2G2A P14555 2/20 0.69
PLA2G5 P39877 2/20 0.69
ACHE P22303 3/20 0.45
SGMS1 Q86VZ5 3/20 0.45
SGMS2 Q8NHU3 3/20 0.45
CBS P35520 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PAK1 Q13153 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
ELANE P08246 5/20 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
SCHEMBL31040531 1.00 FFAR1 (0.69) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL31040542 0.98 FFAR1 (0.66) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL31040528 0.92 PLA2G2A (0.69) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL31040533 0.92 FFAR1 (0.64) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL31040551 0.92 PLA2G2A (0.69) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL31040552 0.92 FFAR1 (0.64) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL9752843 0.81 PLA2G2A (1.00) FFAR1PLA2G2APLA2G5MEN1KMT2A
SCHEMBL9752712 0.81 PLA2G2A (1.00) FFAR1PLA2G2APLA2G5MEN1KMT2A
SCHEMBL31040550 0.81 FFAR1 (0.69) FFAR1PLA2G2APLA2G5ACHESGMS1
SCHEMBL14924223 0.81 PLA2G2A (1.00) FFAR1PLA2G2APLA2G5MEN1KMT2A

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
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