SCHEMBL7375661

SCHEMBL7375661

CC(C)(C)OC(=O)N1CCC(CCC=NO)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 7/20 0.46
EPHX1 P07099 1/20 0.46
FAAH O00519 1/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 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
SCHEMBL7375656 1.00 HPGD (0.51) HPGDRECQLKDM4EPKMGPR119
SCHEMBL7375659 1.00 HPGD (0.51) HPGDRECQLKDM4EPKMGPR119
SCHEMBL24208472 0.87 HPGD (0.49) HPGDRECQLKDM4EPKMGPR119
SCHEMBL21997258 0.87 HPGD (0.49) HPGDRECQLKDM4EPKMGPR119
SCHEMBL6536317 0.87 HPGD (0.49) HPGDRECQLKDM4EPKMGPR119
SCHEMBL1576006 0.85 HPGD (0.50) HPGDRECQLKDM4EPKMGPR119
SCHEMBL19851880 0.81 HPGD (0.50) HPGDRECQLKDM4EPKMGPR119
SCHEMBL15085741 0.81 GPR119 (0.59) HPGDRECQLKDM4EPKMGPR119
SCHEMBL3132960 0.80 HPGD (0.54) HPGDRECQLKDM4EPKMGPR119
SCHEMBL7400409 0.80 HPGD (0.54) HPGDRECQLKDM4EPKMGPR119

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-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed