SCHEMBL8458587

SCHEMBL8458587

N[C@H](CC(=O)OC(=O)c1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.47
SLC1A2 P43004 3/20 0.47
SLC1A1 P43005 3/20 0.47
GBA1 P04062 1/20 0.41
ITGB3 P05106 7/20 0.41
ITGA2B P08514 7/20 0.41
CA12 O43570 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LARS1 Q9P2J5 1/20 0.40
KAT6A Q92794 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
ADAMTS4 O75173 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL7398124 0.92 POLB (0.45) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL7398408 0.86 ITGB3 (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7488066 0.85 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL8454597 0.84 ITGB3 (0.44) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7494945 0.84 ITGB3 (0.44) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL7402176 0.84 USP2 (0.44) ITGB3ITGA2BALDH1A1
SCHEMBL7402092 0.84 ITGB3 (0.46) ITGB3ITGA2BMMP2ALDH1A1PKM
SCHEMBL7402108 0.83 ITGB3 (0.60) ITGB3ITGA2BKAT6AALDH1A1PKM
SCHEMBL7398725 0.81 ITGB3 (0.46) ITGB3ITGA2BALDH1A1KDM4E
SCHEMBL8801722 0.81 MMP1 (0.44) ITGB3ITGA2BMMP2KAT6AALDH1A1

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