SCHEMBL8085334

SCHEMBL8085334

O=C1NC(=O)c2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.66
TOP2A P11388 1/20 0.45
PTPRC P08575 1/20 0.42
KMT2A Q03164 2/20 0.41
GAPDH P04406 1/20 0.41
MEN1 O00255 1/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.39

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
SCHEMBL8148248 0.88 ALOX5 (0.52) ALOX5TOP2AKMT2AMEN1PTGS2
SCHEMBL8085182 0.85 ALOX5 (0.49) ALOX5TOP2AKMT2AMEN1KDM4E
SCHEMBL2959109 0.82 ALOX5 (0.48) ALOX5PTPRCKMT2AGAPDHMEN1
SCHEMBL8085088 0.79 ALOX5 (1.00) ALOX5TOP2APTPRCKMT2AGAPDH
SCHEMBL8080438 0.78 ALOX5 (0.52) ALOX5TOP2AKMT2AGAPDHMEN1
SCHEMBL8081965 0.77 ALOX5 (0.43) ALOX5PTPRCGAPDHPTGS2PTGS1
SCHEMBL8086684 0.77 MAPT (0.56) ALOX5TOP2AKMT2AGAPDHMEN1
SCHEMBL8072455 0.76 ALDH1A1 (0.48) ALOX5TOP2AKMT2AMEN1KDM4E
SCHEMBL30637547 0.76 ALOX5 (1.00) ALOX5TOP2AKMT2AMEN1KDM4E
SCHEMBL29582148 0.76 ALOX5 (1.00) ALOX5TOP2AKMT2AMEN1KDM4E

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-6030967-A AND/OR LIKE NEUROTROPHIC FACTOR (FOR EXAMPLE, NERVE GROWTH FACTOR (NGF), BRAIN-DERIVED NEUROTROPHIC FACTOR, NEUROTROPHIN-3, AND GLIAL CELL LINE-DERIVED NEUROTROPHIC FACTOR)-LIKE ACTIVITY; OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed