SCHEMBL27486398

SCHEMBL27486398

CC(=O)OCCOCc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.52
HCAR2 Q8TDS4 1/20 0.50
MAOA P21397 2/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46

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
SCHEMBL14852200 0.86 MAOB (0.49) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL10795863 0.85 ALDH1A1 (0.61) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL9347048 0.83 IDO1 (0.64) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL18064380 0.83 ALDH1A1 (0.47) MAOBHCAR2MAOAALDH1A1
Butane SCHEMBL10795645 0.81 HCAR2 (0.56) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL28069941 0.81 GLA (0.45) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL755347 0.80 ALDH1A1 (0.69) MAOBESR1ALDH1A1CYP3A4
SCHEMBL20379003 0.79 MAOB (0.50) MAOBHCAR2MAOAIDO1AGXT
SCHEMBL17459104 0.79 ALDH1A1 (0.67) MAOBESR1ALDH1A1CYP3A4
SCHEMBL27037812 0.79 IDO1 (0.55) MAOBHCAR2MAOAIDO1AGXT

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-1151117-A Binding of E-selectin, P-selectin or L-selectin to sialyl-Lewis(x) or sialyl-lewis(a) TAXAS BIOTECHNOLOGY CORP (US) 1997-06-04 CN disclosed