SCHEMBL7384451

SCHEMBL7384451

CCOC(=O)CC(c1ccc(O)cc1)c1cc2cc(C#N)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
MIF P14174 2/20 0.38
FFAR1 O14842 1/20 0.37
PFKFB3 Q16875 1/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL7390110 0.90 THRB (0.53) MAOBTHRBTP53FFAR1KDM4E
SCHEMBL7384455 0.81 FFAR1 (0.36) MAOBMAOAMIFFFAR1HTT
SCHEMBL7379680 0.78 F10 (0.48) MAOBMAOATHRBMIFPFKFB3
SCHEMBL657972 0.76 THRB (0.45) MAOBTHRBTP53HTTKDM4E
SCHEMBL7388442 0.76 GPR119 (0.51) CETP
SCHEMBL13264795 0.74 CA12 (0.51) MIFHTTKDM4EGAAALDH1A1
SCHEMBL658471 0.74 TP53 (0.53) MAOBTHRBTP53HTTKDM4E
SCHEMBL7384849 0.73 ESR1 (0.50) MAOBMAOATP53MIFMAPT
SCHEMBL7390112 0.73 THRB (0.41) THRBFFAR1HTTKDM4EALDH1A1
SCHEMBL7197252 0.73 CDY1; CDY1B (0.39) MAOBMAOAMAPT

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed