SCHEMBL7320730

SCHEMBL7320730

O=C(COc1c(N2CCOCC2)oc2ccccc2c1=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 6/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 9/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PRKDC P78527 2/20 0.42
ACE P12821 1/20 0.42
ECE1 P42892 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.40

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 0.83 KMT2A (0.59) KDM4EGAAKMT2AALDH1A1POLB
SCHEMBL3540173 0.82 PRKDC (0.50) P2RY12KDM4EHSD17B10ALDH1A1PRKDC
SCHEMBL8882576 0.82 ALDH1A1 (0.47) KDM4EGAAKMT2AHSD17B10ALDH1A1
SCHEMBL8799185 0.80 PRKDC (0.45) KDM4EGAAKMT2AHSD17B10ALDH1A1
SCHEMBL7326699 0.78 MAPT (0.55) KDM4EGAAKMT2AHSD17B10ALDH1A1
SCHEMBL7327192 0.78 ABCG2 (0.52) KDM4EKMT2AHSD17B10ALDH1A1MEN1
SCHEMBL8882070 0.74 P2RY12 (0.53) P2RY12KDM4EKMT2AHSD17B10ALDH1A1
SCHEMBL3541003 0.73 PRKDC (0.43) KDM4EKMT2AALDH1A1MEN1LMNA
SCHEMBL7320806 0.73 PRKDC (0.54) KDM4EKMT2AHSD17B10ALDH1A1MAPT
SCHEMBL8799186 0.73 PRKDC (0.45) KDM4EKMT2AHSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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