SCHEMBL7273375

SCHEMBL7273375

N#Cc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CC(N)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MMP2 P08253 8/20 0.44
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP3 P08254 7/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BACE1 P56817 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
HRH2 P25021 2/20 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
SCHEMBL7282036 0.87 MMP2 (0.41) ITGB3ITGA2BMMP2PPARAPPARD
Hydrochloric Acid SCHEMBL7283263 0.87 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7275831 0.86 MMP2 (0.39) MMP2MEN1KMT2AMMP3MMP1
SCHEMBL7275763 0.85 KDM4E (0.41) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7282402 0.85 MMP2 (0.43) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7283823 0.84 MMP2 (0.45) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7276199 0.83 HPGD (0.45) ITGB3MMP2PPARAPPARDMEN1
SCHEMBL7273518 0.83 ABCB1 (0.46) ITGB3ITGA2BMMP2PPARAPPARD
SCHEMBL7284836 0.82 MMP2 (0.46) MMP2PPARAPPARDMMP3HRH3
SCHEMBL7275504 0.82 ABCB1 (0.45) ITGB3ITGA2BMMP2PPARAPPARD

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed