SCHEMBL6827699

SCHEMBL6827699

CCCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.CCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.COC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O.O=C(O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.57
HSD17B10 Q99714 2/20 0.57
ALB P02768 2/20 0.57
VKORC1 Q9BQB6 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
PCSK7 Q16549 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ADORA3 P0DMS8 1/20 0.54
CYP3A4 P08684 1/20 0.53
NQO1 P15559 2/20 0.51
POLB P06746 1/20 0.49

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
SCHEMBL5113240 0.90 CYP2C9 (0.69) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1647638 0.88 CYP2C9 (0.72) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1647642 0.86 CYP2C9 (0.75) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL5103750 0.84 CYP2C9 (0.66) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL6825815 0.83 VKORC1 (0.61) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1647664 0.81 NQO1 (0.65) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3263995 0.81 CYP2C9 (0.67) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL3157772 0.81 CYP2C9 (0.60) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL1649909 0.81 CYP2C9 (0.80) CYP2C9HSD17B10ALBVKORC1KDM4E
SCHEMBL6827896 0.80 VKORC1 (0.54) CYP2C9HSD17B10ALBVKORC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383756-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS Arxy Therapeutics (US) 2004-01-28 EP disclosed
WO-2002085882-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARXY THERAPEUTICS (US) 2002-10-31 WO disclosed