SCHEMBL7384455

SCHEMBL7384455

CCOC(=O)CC(c1ccc(O)cc1)c1occ2cc(C#N)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.36
ALDH2 P05091 4/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
MAPT P10636 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL7390112 0.91 THRB (0.41) FFAR1HTTKDM4EALDH1A1HPGD
SCHEMBL7384451 0.81 MAOB (0.43) FFAR1HTTKDM4EGAAALDH1A1
SCHEMBL657973 0.78 KMT2A (0.38) HTTKDM4EGAAALDH1A1GLA
SCHEMBL7379683 0.78 ESR1 (0.37) FFAR1ALDH2PDCD1CD274MAOA
SCHEMBL7388447 0.77 GPR119 (0.49) ALK
SCHEMBL7384853 0.73 ESR1 (0.49) MIFKMT2A
SCHEMBL13264795 0.73 CA12 (0.51) HTTKDM4EGAAALDH1A1MAPT
SCHEMBL8713685 0.72 SMN1; SMN2 (0.40) KDM4EGAAALDH1A1GLAHSD17B10
SCHEMBL7390110 0.71 THRB (0.53) FFAR1KDM4EGAAALDH1A1GLA
SCHEMBL7387662 0.71 MEN1 (0.39) ALDH2KDM4EGAAALDH1A1GLA

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