SCHEMBL8879474

SCHEMBL8879474

CC(C)(C)Oc1ccc(C[C@H](N)C(=O)N2CCC(OCC(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
OPRD1 P41143 3/20 0.43
DPP4 P27487 2/20 0.43
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
POLB P06746 1/20 0.41
HRH2 P25021 3/20 0.41
HRH1 P35367 3/20 0.41
PTPN1 P18031 1/20 0.40
ACACB O00763 1/20 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
SCHEMBL8879407 0.88 DPP4 (0.53) ITGB3ITGA2BOPRD1DPP4F2
SCHEMBL8879394 0.88 DPP4 (0.53) ITGB3ITGA2BOPRD1DPP4F2
SCHEMBL7797514 0.85 ITGB3 (0.64) ITGB3ITGA2BOPRD1DPP4F2
SCHEMBL7797516 0.85 ITGB3 (0.64) ITGB3ITGA2BOPRD1DPP4F2
SCHEMBL8690139 0.82 DPP4 (0.42) OPRD1DPP4FAPDPP8DPP9
SCHEMBL8881449 0.82 HRH2 (0.49) ITGB3ITGA2BHRH2HRH1
SCHEMBL8690140 0.81 OPRD1 (0.45) OPRD1DPP4FAPDPP8DPP9
SCHEMBL8880911 0.81 ITGB3 (0.78) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8480731 0.78 DPP4 (0.49) ITGB3ITGA2BOPRD1DPP4F2
SCHEMBL8396803 0.77 ITGB3 (0.51) ITGB3ITGA2BPOLBHRH2HRH1

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
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