SCHEMBL8454597

SCHEMBL8454597

NCCOCc1ccc(C(=O)OC(=O)C[C@@H](N)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 8/20 0.44
PKM P14618 1/20 0.42
F2 P00734 4/20 0.38
TMPRSS6 Q8IU80 4/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ITGAV P06756 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL7912610 0.87 F2 (0.42) ITGB3ITGA2BPKMF2TMPRSS6
SCHEMBL8458587 0.84 SLC1A3 (0.47) ITGB3ITGA2BPKMSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL7488066 0.84 ITGB3 (0.59) ITGB3ITGA2BMAPTITGAV
SCHEMBL7398124 0.82 POLB (0.45) ITGB3ITGA2BPKMSLC1A3SLC1A2
SCHEMBL7398408 0.81 ITGB3 (0.50) ITGB3ITGA2BMEN1MAPTKMT2A
SCHEMBL7402092 0.79 ITGB3 (0.46) ITGB3ITGA2BPKMMEN1LMNA
Trifluoroacetic Acid SCHEMBL8459490 0.78 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL8454591 0.76 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7483042 0.76 ITGB3 (0.63) ITGB3ITGA2BPKMF2SLC1A3
Hydrochloric Acid SCHEMBL7494945 0.76 ITGB3 (0.44) ITGB3ITGA2BSLC1A3SLC1A2SLC1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US disclosed
US-5741796-A Pyridyl and naphthyridyl compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1998-04-21 US disclosed