SCHEMBL9157208

SCHEMBL9157208

COc1ccc2c(=O)c(C)c(C)oc2c1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.43
GLA P06280 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
STING1 Q86WV6 1/20 0.41

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
SCHEMBL9162496 0.83 MEN1 (0.47) MEN1KMT2AMAOBMAOAGLA
SCHEMBL9162488 0.83 MEN1 (0.47) MEN1KMT2AMAOBMAOAGLA
SCHEMBL9160558 0.82 KDM4E (0.42) MEN1KMT2AMAOBMAOAGLA
SCHEMBL9164174 0.81 NFE2L2 (0.44) MEN1KMT2AMAOBMAOAKDM4E
SCHEMBL9164164 0.81 NFE2L2 (0.44) MEN1KMT2AMAOBMAOAKDM4E
SCHEMBL9163987 0.80 LTB4R (0.42) MEN1KMT2AL3MBTL1DUSP3PTPN5
SCHEMBL9166285 0.80 MEN1 (0.50) MEN1KMT2AMAOBMAOAKDM4E
SCHEMBL9166291 0.80 MEN1 (0.50) MEN1KMT2AMAOBMAOAKDM4E
SCHEMBL9163981 0.80 LTB4R (0.42) MEN1KMT2AL3MBTL1DUSP3PTPN5
SCHEMBL9159363 0.79 MAOB (0.41) MEN1KMT2AMAOBMAOAGLA

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
US-5409952-A Anticancer agents ADIR ET COMPAGNIE (FR) 1995-04-25 US disclosed