SCHEMBL27714568

SCHEMBL27714568

N#CC(=CC(=O)OO)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
NQO2 P16083 1/20 0.51
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC16A3 O15427 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC16A1 P53985 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PARP10 Q53GL7 1/20 0.37
CA12 O43570 2/20 0.36
CA7 P43166 2/20 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
SCHEMBL1041414 0.85 ESR1 (0.50) ESR1ESR2NQO2CA1CA2
SCHEMBL21457597 0.81 CA1 (0.51) ESR1ESR2NQO2CA1CA2
SCHEMBL21457257 0.81 ESR1 (0.51) ESR1ESR2NQO2CA1CA2
SCHEMBL854364 0.80 ESR1 (0.56) ESR1ESR2NQO2CA1CA2
SCHEMBL28554503 0.80 ESR1 (0.56) ESR1ESR2NQO2CA1CA2
SCHEMBL26827 0.80 ESR1 (0.56) ESR1ESR2NQO2CA1CA2
SCHEMBL28093622 0.80 ESR1 (0.56) ESR1ESR2NQO2CA1CA2
SCHEMBL9539325 0.79 ESR1 (0.55) ESR1ESR2NQO2CA1CA2
SCHEMBL28824973 0.79 ESR1 (0.54) ESR1ESR2NQO2CA1CA2
SCHEMBL21457167 0.77 NQO2 (0.43) ESR1ESR2NQO2CA1CA2

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-101277614-A Methods for bone treatment by modulating an arachidonic acid metabolic or signaling pathway ACCELALOX INC (US) 2008-10-01 CN disclosed