SCHEMBL7323875

SCHEMBL7323875

O=c1cc(N2CCOCC2)oc2cc(Cl)ccc12

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 20/20 0.71
ACE P12821 1/20 0.68
ECE1 P42892 1/20 0.68
XRCC6 P12956 1/20 0.63
XRCC5 P13010 1/20 0.63

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
SCHEMBL7320703 0.89 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7320140 0.83 PRKDC (0.71) PRKDCACEECE1XRCC6XRCC5
SCHEMBL31061328 0.83 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3533604 0.83 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3536375 0.81 PRKDC (1.00) PRKDC
SCHEMBL3361567 0.81 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL30218216 0.81 PRKDC (1.00) PRKDCACEECE1XRCC6XRCC5
SCHEMBL13435723 0.80 PRKDC (0.81) PRKDCACEECE1XRCC6XRCC5
SCHEMBL31061046 0.80 PRKDC (1.00) PRKDC
SCHEMBL3536694 0.80 PRKDC (1.00) PRKDC

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 claimed
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