SCHEMBL7320358

SCHEMBL7320358

COc1ccc2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 18/20 0.81
ACE P12821 1/20 0.63
ECE1 P42892 1/20 0.63
XRCC6 P12956 2/20 0.62
XRCC5 P13010 2/20 0.62
P2RY12 Q9H244 1/20 0.56
MAOA P21397 1/20 0.56
PIK3CD O00329 1/20 0.55

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
SCHEMBL3536694 0.90 PRKDC (1.00) PRKDCP2RY12
SCHEMBL31061046 0.90 PRKDC (1.00) PRKDCP2RY12
SCHEMBL30768066 0.86 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7323684 0.82 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7326687 0.81 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL29160480 0.80 PRKDC (0.64) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7319625 0.80 PRKDC (0.84) PRKDC
SCHEMBL7317582 0.80 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL7320703 0.80 PRKDC (0.68) PRKDCACEECE1XRCC6XRCC5
SCHEMBL3537000 0.80 PRKDC (0.80) PRKDCACEECE1XRCC6XRCC5

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 8 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
US-5607928-A Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives ZENECA LIMITED (GB) 1997-03-04 US disclosed
EP-0695753-A1 Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use ZENECA LIMITED (GB) 1996-02-07 EP 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