SCHEMBL7276433

SCHEMBL7276433

COC(=O)C[C@H]1C[C@@H](COc2ccc(-c3ccc(C#N)cc3)cc2)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
MMP2 P08253 7/20 0.44
MMP3 P08254 6/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALDH1A1 P00352 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39

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
SCHEMBL7283083 1.00 ITGB3 (0.56) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7282562 1.00 ITGB3 (0.56) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7277350 0.89 ITGB3 (0.48) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7285264 0.89 ITGB3 (0.53) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7284201 0.88 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7283166 0.88 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL8884076 0.88 ITGB3 (0.52) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL7273994 0.86 ITGB3 (0.43) ITGB3ITGA2BMMP2MMP3MMP1
SCHEMBL8863881 0.86 ITGB3 (0.43) ITGB3ITGA2BMMP2MMP3MMP1
Hydrochloric Acid SCHEMBL7281221 0.85 ITGB3 (0.57) ITGB3ITGA2BKDM4EIRAK4

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 4 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
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 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