SCHEMBL7301489

SCHEMBL7301489

COP(=O)(O)CC(Cc1ccccc1)C(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.60
ALDH1A1 P00352 1/20 0.50
SCD O00767 6/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
PDE5A O76074 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7299471 0.84 MME (0.52) MMEALDH1A1PDE5ASMN1; SMN2TP53
SCHEMBL7346217 0.81 MME (0.69) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7301495 0.77 MME (0.60) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7302170 0.76 MME (0.54) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL7298781 0.74 MME (0.55) MMEALDH1A1SCDITGB1ITGA4
SCHEMBL1916535 0.73 MME (0.58) MMEALDH1A1PDE5ATP53MAPK1
SCHEMBL1916530 0.73 MME (0.58) MMEALDH1A1PDE5ATP53MAPK1
SCHEMBL7307957 0.73 MME (0.56) MMEALDH1A1
SCHEMBL7348891 0.70 LMNA (0.57) ALDH1A1SMN1; SMN2TP53L3MBTL1
SCHEMBL7438793 0.70 MME (0.59) MMEALDH1A1SCDITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636630-B1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON SPA (IT) 1999-04-28 EP disclosed
US-5438046-A Enzyme inhibitors ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0636630-A1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1995-02-01 EP disclosed