SCHEMBL7316759

SCHEMBL7316759

CCCOC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCOC(C)=O)cc3)cc2)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
MASP2 O00187 2/20 0.33
XDH P47989 1/20 0.33
ACACB O00763 3/20 0.32
ACACA Q13085 2/20 0.32
NAAA Q02083 1/20 0.32
ASAH1 Q13510 1/20 0.32
RARB P10826 3/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
LTA4H P09960 1/20 0.30
MAPT P10636 2/20 0.30
PLK1 P53350 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7311942 0.94 ITGB3 (0.53) ITGB3ITGA2BMASP2ACACBIRAK4
SCHEMBL7304269 0.93 ITGB3 (0.54) ITGB3ITGA2BIRAK4LTA4H
SCHEMBL7312569 0.91 ITGB3 (0.51) ITGB3ITGA2BMASP2IRAK4
SCHEMBL7306414 0.91 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7309280 0.91 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7308125 0.90 ITGB3 (0.52) ITGB3ITGA2BIRAK4MAPTKMT2A
SCHEMBL7305042 0.89 ITGB3 (0.51) ITGB3ITGA2BMASP2ACACBNAAA
SCHEMBL7305149 0.88 ITGB3 (0.52) ITGB3ITGA2BMASP2NAAAIRAK4
SCHEMBL7304690 0.88 ITGB3 (0.53) ITGB3ITGA2BIRAK4KMT2A
SCHEMBL7284255 0.88 ITGB3 (0.56) ITGB3ITGA2BMASP2RARBSPHK1

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-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed