SCHEMBL8801722

SCHEMBL8801722

N=C(N)NCCNC(=O)c1cccc(C(=O)OC(=O)C[C@@H](N)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP14 P50281 2/20 0.44
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 2/20 0.38
USP2 O75604 1/20 0.38
PSMB8 P28062 4/20 0.37
PSMB5 P28074 4/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLG P00747 1/20 0.37
KAT6A Q92794 1/20 0.36

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
SCHEMBL7402176 0.91 USP2 (0.44) ITGB3ITGA2BUSP2PSMB8PSMB5
SCHEMBL7920933 0.85 ITGB3 (0.47) ITGB3ITGA2BF10PLGKAT6A
SCHEMBL8458438 0.85 SLC1A3 (0.36) MMP2ITGB3ITGA2BUSP2PSMB8
SCHEMBL8458587 0.81 SLC1A3 (0.47) MMP2ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7487574 0.81 ITGB3 (0.48) ITGB3ITGA2BF10NPC1ALDH1A1
SCHEMBL7484657 0.80 ITGB3 (0.48) ITGB3ITGA2BALDH1A1SMN1; SMN2ITGAV
SCHEMBL7398408 0.80 ITGB3 (0.50) ITGB3ITGA2BMEN1KMT2AUSP2
SCHEMBL7912610 0.80 F2 (0.42) ITGB3ITGA2BHTTSMN1; SMN2F2
SCHEMBL8455738 0.79 GAA (0.42) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL7398124 0.75 POLB (0.45) ITGB3ITGA2BMEN1KMT2AHTT

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-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-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