SCHEMBL7399477

SCHEMBL7399477

COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.63
ALDH1A1 P00352 15/20 0.58
HPGD P15428 5/20 0.58
GAA P10253 4/20 0.58
ATM Q13315 2/20 0.58
GLA P06280 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 4/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.47
ATR Q13535 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL6741365 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDGAAATM
SCHEMBL16257042 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDGAAATM
SCHEMBL16318447 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDGAAATM
SCHEMBL459443 0.83 ABCG2 (0.51) KDM4EALDH1A1HPGDGAAATM
SCHEMBL27969573 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM
SCHEMBL3531700 0.83 ATR (0.53) KDM4EALDH1A1HPGDGAAATM
SCHEMBL2934675 0.81 CA12 (0.54) KDM4EALDH1A1HPGDGAAATM
SCHEMBL10318265 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDGAAATM
SCHEMBL4490699 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM
SCHEMBL31480211 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDGAAATM

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
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed