SCHEMBL11430643

SCHEMBL11430643

CCOC(=O)C(=O)c1ccc(OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.59
NPC1 O15118 2/20 0.56
PLK1 P53350 1/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.54
PLA2G4B P0C869 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NQO1 P15559 1/20 0.52
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL21636224 0.91 L3MBTL1 (0.54) PARP10PLK1ALDH1A1GAAKMT2A
SCHEMBL21636259 0.89 L3MBTL1 (0.53) NPC1GAAPLA2G4BKMT2AL3MBTL1
SCHEMBL12732996 0.88 L3MBTL1 (0.57) PLK1ALDH1A1PLA2G4BKMT2ANPSR1
SCHEMBL1367365 0.86 PARP10 (0.70) PARP10NPC1PLK1ALDH1A1PLA2G4B
SCHEMBL906436 0.85 CES2 (0.64) PARP10ALDH1A1MAPT
SCHEMBL7531547 0.85 L3MBTL1 (0.46) PARP10PLK1ALDH1A1GAAKMT2A
SCHEMBL21636280 0.85 L3MBTL1 (0.49) PARP10ALDH1A1GAAKMT2AL3MBTL1
SCHEMBL10374298 0.85 MAPT (0.51) PARP10NPC1PLK1GAARAB9A
SCHEMBL21636222 0.84 TP53 (0.65) GAAPLA2G4B
SCHEMBL9402688 0.84 TP53 (0.65) GAAPLA2G4B

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
CN-104105485-A Acc inhibitors and uses thereof NIMBUS APOLLO INC 2014-10-15 CN disclosed
US-4239779-A AND AS A HYPOGLYCEMIC AGENT PFIZER INC. (US) 1980-12-16 US disclosed
US-4219566-A TREATMENT OF ISCHEMIC HEART DISEASE AND HYPERGLYCEMIA OF DIABETES PFIZER INC. (US) 1980-08-26 US disclosed