SCHEMBL6474804

SCHEMBL6474804

COc1ccc(C(OC(C)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
ACACB O00763 1/20 0.45
ACP3 P15309 1/20 0.44
MAPT P10636 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
PARP4 Q9UKK3 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL13427773 0.91 GAA (0.50) NPSR1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL6399107 0.84 CA1 (0.50) CES2CES1RAB9ANPSR1MEN1
SCHEMBL6444093 0.84 CES2 (0.47) CES2CES1RAB9ANPSR1MEN1
SCHEMBL14648180 0.83 MAPT (0.53) CES2CES1RAB9ANPSR1MEN1
SCHEMBL10764332 0.82 CES2 (0.45) CES2CES1RAB9ANPSR1MEN1
SCHEMBL30585518 0.82 RAB9A (0.49) CES2CES1RAB9ANPSR1MEN1
SCHEMBL4709268 0.79 MAPK1 (0.52) RAB9ANPSR1MEN1KMT2ACA1
SCHEMBL23482921 0.79 LMNA (0.48) CES2CES1MEN1KMT2ASMN1; SMN2
SCHEMBL51763 0.79 ESR1 (0.52) MEN1KMT2ACA1CA2MAPT
SCHEMBL9123149 0.78 ALOX5 (0.53) RAB9AMEN1KMT2AACACBL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP disclosed