SCHEMBL7920933

SCHEMBL7920933

N=C(N)NCCCOc1cccc(C(=O)OC(=O)C[C@@H](N)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
F10 P00742 3/20 0.46
KAT6A Q92794 4/20 0.43
PRSS1 P07477 7/20 0.40
PLG P00747 2/20 0.40
F2 P00734 1/20 0.40
PRSS2 P07478 1/20 0.40
C1S P09871 1/20 0.40
PRSS3 P35030 1/20 0.40
PROC P04070 1/20 0.40
KLK1 P06870 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7484657 0.90 ITGB3 (0.48) ITGB3ITGA2BCA12CA1CA2
SCHEMBL7487574 0.87 ITGB3 (0.48) ITGB3ITGA2BF10
SCHEMBL8801722 0.85 MMP1 (0.44) ITGB3ITGA2BF10KAT6APRSS1
SCHEMBL8455738 0.85 GAA (0.42) PRSS1
SCHEMBL7402237 0.81 ESR1 (0.48) ITGB3ITGA2B
SCHEMBL7402176 0.81 USP2 (0.44) ITGB3ITGA2BPRSS1CA2
SCHEMBL7912610 0.79 F2 (0.42) ITGB3ITGA2BF2CA2
SCHEMBL8458587 0.78 SLC1A3 (0.47) ITGB3ITGA2BKAT6ACA12CA9
SCHEMBL8458438 0.77 SLC1A3 (0.36) ITGB3ITGA2BCA12CA1CA2
Hydrochloric Acid SCHEMBL7488066 0.75 ITGB3 (0.59) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001524079-A 2001-11-27 JP claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP claimed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO claimed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP claimed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP claimed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO claimed
EP-0973396-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0973396-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-01-26 EP disclosed
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
WO-1998044797-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1998-10-15 WO disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed