SCHEMBL7306502

SCHEMBL7306502

CC(OC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)NC1=O)OC(=O)OC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
MASP2 O00187 2/20 0.35
CTSS P25774 5/20 0.34
CTSK P43235 5/20 0.34
CAPN2 P17655 6/20 0.33
EPHX1 P07099 1/20 0.33
CTSL P07711 4/20 0.33
CACNA1B Q00975 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ESR1 P03372 1/20 0.32
NR3C1 P04150 1/20 0.32
TP53 P04637 1/20 0.32
PGR P06401 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL7313815 1.00 ITGB3 (0.45) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7275398 0.93 ITGB3 (0.40) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7314181 0.91 ITGB3 (0.49) ITGB3ITGA2BKDM4EMEN1MLNR
SCHEMBL7301568 0.91 ITGB3 (0.47) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7313594 0.91 ITGB3 (0.49) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7314657 0.90 ITGB3 (0.48) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7309683 0.90 ITGB3 (0.48) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7315002 0.90 ITGB3 (0.48) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7313682 0.89 ITGB3 (0.36) ITGB3ITGA2BMASP2CTSSCTSK
SCHEMBL7310281 0.89 ITGB3 (0.47) ITGB3ITGA2BMASP2CTSSCTSK

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 6 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 claimed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US claimed
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 claimed
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