SCHEMBL7282873

SCHEMBL7282873

N=C(N)c1ccc(C(=O)NCC(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.67
ITGA2B P08514 18/20 0.67
SMN1; SMN2 Q16637 1/20 0.55
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
TPSAB1 Q15661 1/20 0.50
TPSD1 Q9BZJ3 1/20 0.50
TPSG1 Q9NRR2 1/20 0.50

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
SCHEMBL8881759 0.89 SMN1; SMN2 (0.55) ITGB3ITGA2BSMN1; SMN2
Iodide SCHEMBL8882822 0.86 ITGB3 (0.53) ITGB3ITGA2BSMN1; SMN2
SCHEMBL8770567 0.84 ITGB3 (0.70) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7276548 0.84 ITGB3 (0.70) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8880311 0.83 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2
SCHEMBL7291775 0.82 ITGB3 (0.61) ITGB3ITGA2BSMN1; SMN2F2PLG
SCHEMBL8689949 0.81 ITGB3 (0.66) ITGB3ITGA2BSMN1; SMN2F2PLG
SCHEMBL8382567 0.81 ITGB3 (0.60) ITGB3ITGA2BF2PLGPRSS1
Ro-44-3888 SCHEMBL7284509 0.81 ITGB3 (1.00) ITGB3ITGA2B
Ro-44-3888 SCHEMBL7283142 0.81 ITGB3 (1.00) ITGB3ITGA2B

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
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed