SCHEMBL31574495

SCHEMBL31574495

O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.85
MAOB P27338 1/20 0.85
CXCL12 P48061 1/20 0.85
MAPT P10636 7/20 0.76
CYP2D6 P10635 3/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
KDM4E B2RXH2 1/20 0.76
ALDH1A1 P00352 1/20 0.76
CYP1A1 P04798 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP1B1 Q16678 2/20 0.71
PTPN1 P18031 1/20 0.69
AR P10275 1/20 0.69
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
NPSR1 Q6W5P4 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60

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
SCHEMBL31574484 0.92 CXCL12 (1.00) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL108665 0.88 MAPT (0.79) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL28553855 0.88 MAPT (0.79) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL3440511 0.87 MAPT (0.84) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL30383813 0.87 MAPT (0.84) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL25209543 0.87 MAPT (0.84) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL3440510 0.87 MAPT (0.84) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL4694933 0.86 MAOA (0.72) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL4694931 0.86 MAOA (0.72) MAOAMAOBCXCL12MAPTCYP2D6
SCHEMBL4694181 0.86 MAPT (0.76) MAOAMAOBCXCL12MAPTCYP2D6

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-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 CN disclosed