SCHEMBL29176372

SCHEMBL29176372

O=C(O)COc1ccc(C2(c3ccc(O)cc3)Oc3ccccc3NC2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
CYP19A1 P11511 1/20 0.42
ESR1 P03372 1/20 0.42
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 2/20 0.40
MAPT P10636 3/20 0.39
PTPN7 P35236 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PTPN12 Q05209 1/20 0.39
ALDH2 P05091 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
GPR35 Q9HC97 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL29176373 0.84 NR4A2 (0.50) POLB
SCHEMBL443498 0.84 CHRM2 (0.55) ALOX15ESR1CHRM2ADORA3KCNH2
SCHEMBL29176374 0.82 CA2 (0.46) ALOX15ESR1CHRM2ADORA3KCNH2
SCHEMBL30685756 0.80 CHRM2 (0.68) ALOX15CYP19A1ESR1CHRM2ADORA3
SCHEMBL29176375 0.77 MAPT (0.43) ALOX15ESR1CHRM2ADORA3KCNH2
Bisoxatin Acetate SCHEMBL31152556 0.76 MAPT (0.62) MAPTKMT2AALDH1A1MEN1HSD17B10
Bisoxatin Acetate SCHEMBL364629 0.76 MAPT (0.62) MAPTKMT2AALDH1A1MEN1HSD17B10
SCHEMBL274850 0.71 ALOX15 (0.68) ALOX15CYP19A1ESR1FFAR1MAPT
SCHEMBL9455632 0.69 GAA (0.62) ALOX15ESR1FFAR1MAPTPTPN7
Phenol SCHEMBL27633755 0.68 ALOX15 (0.83) ALOX15CYP19A1ESR1FFAR1MAPT

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-117447418-A Hapten and artificial antigen for simultaneously detecting bisphenol sardine and bisphenol sardine acetate in weight-losing food and application thereof 华南农业大学 2024-01-26 CN disclosed