SCHEMBL6946382

SCHEMBL6946382

COC(=O)NC(=O)OC(C)(C)C.[KH]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CYP2D6 P10635 1/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36

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
SCHEMBL3509747 0.97 DGAT1 (0.46) DGAT1CA12CA14CA2TDP1
SCHEMBL1522412 0.92 DGAT1 (0.44) DGAT1CA12CA14CA2TDP1
SCHEMBL101218 0.89 DGAT1 (0.46) DGAT1CA12CA14CA2TDP1
SCHEMBL6272856 0.87 DGAT1 (0.44) DGAT1CA12CA14CA2TDP1
Potassium SCHEMBL29554503 0.87 DGAT1 (0.44) DGAT1CA12CA14CA2TDP1
SCHEMBL17874128 0.80 TDP1 (0.39) DGAT1CA12CA14CA2TDP1
SCHEMBL14949475 0.79 DGAT1 (0.42) DGAT1CA12CA14CA2TDP1
SCHEMBL13401552 0.78 TDP1 (0.38) DGAT1CA12CA14CA2TDP1
SCHEMBL28159512 0.78 TDP1 (0.38) DGAT1CA12CA14CA2TDP1
SCHEMBL862169 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
EP-0910563-A4 1999-04-28 EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
EP-0570507-A4 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORP (US) 1994-09-21 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed
EP-0570507-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1993-11-24 EP disclosed
WO-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed