SCHEMBL7399198

SCHEMBL7399198

N[C@H](CC(=O)OC(=O)c1ccc(OCCCc2ccncc2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.46
ITGA2B P08514 7/20 0.46
ITGAV P06756 2/20 0.43
PPARG P37231 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7402092 0.92 ITGB3 (0.46) ITGB3ITGA2BITGAVPOLBMEN1
SCHEMBL7403075 0.85 ITGB3 (0.44) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488066 0.84 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7488464 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVALDH1A1
SCHEMBL7398498 0.82 TBXAS1 (0.53) ITGB3ITGA2BMEN1KMT2AALDH1A1
SCHEMBL8903179 0.82 ITGB3 (0.43) ITGB3ITGA2BITGAVMMP13
SCHEMBL7397774 0.81 ITGB3 (0.44) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL8459490 0.81 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL7484657 0.81 ITGB3 (0.48) ITGB3ITGA2BITGAVALDH1A1SMN1; SMN2
SCHEMBL7486591 0.80 ITGB3 (0.49) ITGB3ITGA2BITGAVADAMTS4MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP claimed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP claimed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO claimed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed