SCHEMBL7305318

SCHEMBL7305318

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.70
ITGA2B P08514 1/20 0.70
PRSS1 P07477 8/20 0.34
TMPRSS2 O15393 2/20 0.34
PRMT1 Q99873 3/20 0.33
F2 P00734 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
PLAU P00749 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PRMT5 O14744 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
PTP4A3 O75365 1/20 0.33
SLC22A3 O75751 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
S100B P04271 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
Hydrochloric Acid SCHEMBL7287064 0.90 ITGB3 (0.57) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7310665 0.89 ITGB3 (0.72) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7311410 0.89 ITGB3 (0.72) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7313827 0.88 ITGB3 (0.54) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7314508 0.88 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS2F2
Hydrochloric Acid SCHEMBL7316585 0.88 ITGB3 (0.70) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
Hydrochloric Acid SCHEMBL7275270 0.87 ITGB3 (0.75) ITGB3ITGA2BPRSS1TMPRSS2F2
Hydrochloric Acid SCHEMBL7304533 0.87 ITGB3 (0.53) ITGB3ITGA2BPRSS1IRAK4
Hydrochloric Acid SCHEMBL7316556 0.86 ITGB3 (0.74) ITGB3ITGA2BPRSS1TMPRSS2PRMT1
SCHEMBL7274882 0.86 ITGB3 (0.74) ITGB3ITGA2BPRSS1TMPRSS2PRMT1

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