SCHEMBL7326699

SCHEMBL7326699

CC(=O)Oc1c(N2CCOCC2)oc2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
HTT P42858 4/20 0.55
TSHR P16473 3/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CASP3 P42574 1/20 0.50
PRKDC P78527 4/20 0.46
ACE P12821 1/20 0.46
ECE1 P42892 1/20 0.46
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HCRTR1 O43613 1/20 0.42
TP53 P04637 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL8882176 0.86 KMT2A (0.59) MAPTHTTPOLBKMT2AALDH1A1
SCHEMBL7327192 0.85 ABCG2 (0.52) HTTTSHRKMT2AALDH1A1MEN1
SCHEMBL8882576 0.81 ALDH1A1 (0.47) MAPTTSHRKMT2AALDH1A1MEN1
SCHEMBL7324917 0.81 KMT2A (0.53) MAPTHTTTSHRPOLBKMT2A
SCHEMBL8799186 0.80 PRKDC (0.45) MAPTHTTTSHRKMT2AALDH1A1
SCHEMBL7320730 0.78 P2RY12 (0.48) MAPTHTTPOLBKMT2AALDH1A1
SCHEMBL7320806 0.78 PRKDC (0.54) MAPTHTTTSHRKMT2AALDH1A1
SCHEMBL8799185 0.77 PRKDC (0.45) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL3540173 0.77 PRKDC (0.50) TSHRALDH1A1KDM4ENPC1RAB9A
SCHEMBL3541003 0.75 PRKDC (0.43) TSHRKMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
EP-0525123-B1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES UPJOHN CO (US) 1997-09-17 EP disclosed
EP-0525123-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES. UPJOHN CO (US) 1993-02-03 EP disclosed
WO-1991019707-A2 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 WO disclosed