SCHEMBL7317064

SCHEMBL7317064

O=c1cc(N2CCOCC2)oc2c(OCCc3ccccc3)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 13/20 0.68
P2RY12 Q9H244 4/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
PIK3R1 P27986 2/20 0.59
PIK3CA P42336 2/20 0.59
MTOR P42345 2/20 0.59
PDE2A O00408 2/20 0.59
PIK3CD O00329 1/20 0.59
PIK3C2A O00443 1/20 0.59
PIK3R2 O00459 1/20 0.59
PIK3C2B O00750 1/20 0.59
BRD4 O60885 1/20 0.59
PDE5A O76074 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
PIM1 P11309 1/20 0.59

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
SCHEMBL910153 0.89 PRKDC (0.84) PRKDCP2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL8799719 0.86 P2RY12 (0.79) PRKDCP2RY12
SCHEMBL7318138 0.85 PRKDC (0.77) PRKDCP2RY12PIK3CG
SCHEMBL7328250 0.83 PRKDC (0.68) PRKDCP2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL7328869 0.82 P2RY12 (0.81) P2RY12
SCHEMBL7330662 0.82 PRKDC (0.65) PRKDCP2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL8882123 0.82 P2RY12 (0.75) PRKDCP2RY12PIK3CA
SCHEMBL9536084 0.81 P2RY12 (0.80) PRKDCP2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL8798958 0.81 PRKDC (0.58) PRKDCP2RY12KDM4EALDH1A1SMN1; SMN2
SCHEMBL4415734 0.81 PRKDC (0.72) PRKDCKDM4EALDH1A1SMN1; SMN2PIK3R1

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