SCHEMBL3157623

SCHEMBL3157623

Cc1cccc(C)c1OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 7/20 0.60
NQO1 P15559 7/20 0.60
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE4D Q08499 1/20 0.54
PCSK7 Q16549 1/20 0.54
GPR35 Q9HC97 1/20 0.54
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL3171873 0.90 VKORC1 (0.61) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL3164436 0.90 VKORC1 (0.58) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1648030 0.84 NQO1 (0.68) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1649128 0.84 ALDH1A1 (0.66) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1648184 0.84 VKORC1 (0.72) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL3167036 0.83 VKORC1 (0.67) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL3177132 0.83 NQO1 (0.58) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1649886 0.82 VKORC1 (0.69) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1647668 0.81 VKORC1 (0.64) VKORC1NQO1ALDH1A1KMT2AMEN1
SCHEMBL1648125 0.81 VKORC1 (0.67) VKORC1NQO1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161261-B1 Materials and methods for treating coagulation disorders ARMETHEON INC (US) 2013-08-28 EP disclosed
CN-1950353-B Materials and methods for treating coagulation disorders ARYX THERAPEUTICS 2011-06-01 CN disclosed
EP-2161261-A1 Materials and methods for treating coagulation disorders Aryx Therapeutics (US) 2010-03-10 EP disclosed
EP-1735296-B1 MATERIALS AND METHODS FOR TREATING COAGULATION DISORDERS ARYX THERAPEUTICS (US) 2009-12-09 EP disclosed
CN-1950353-A Materials and methods for treating coagulation disorders ARYX THERAPEUTICS (US) 2007-04-18 CN disclosed