SCHEMBL7919384

SCHEMBL7919384

COc1cc(C(=O)OC(=O)C[C@@H](N)NS(=O)(=O)c2ccccc2)ccc1OCCCN

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ITGB3 P05106 5/20 0.44
ITGA2B P08514 5/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR3 Q99500 4/20 0.41
S1PR1 P21453 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGAV P06756 1/20 0.38
HTR6 P50406 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 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
SCHEMBL8455738 0.88 GAA (0.42) GAAPKMNPC1RAB9ASMN1; SMN2
SCHEMBL7398124 0.80 POLB (0.45) GAAPKMITGB3ITGA2BRAB9A
Trifluoroacetic Acid SCHEMBL8459490 0.79 ITGB3 (0.55) ITGB3ITGA2BITGAV
Hydrochloric Acid SCHEMBL7488066 0.78 ITGB3 (0.59) ITGB3ITGA2BRAB9AITGAV
SCHEMBL8458587 0.78 SLC1A3 (0.47) PKMITGB3ITGA2BSMN1; SMN2ALDH1A1
SCHEMBL7919377 0.77 ITGB3 (0.71) GAAPKMITGB3ITGA2BITGAV
SCHEMBL8454597 0.75 ITGB3 (0.44) GAAPKMITGB3ITGA2BALDH1A1
SCHEMBL7398408 0.75 ITGB3 (0.50) ITGB3ITGA2BMEN1KMT2AITGAV
SCHEMBL9798517 0.74 MAPT (0.59) SMN1; SMN2KMT2ATSHR
Hydrochloric Acid SCHEMBL7494945 0.73 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2ALDH1A1ITGAV

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 16 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
US-5929120-A Guainidino, formamidino, amino and related compounds for inhibiting osteoclast-mediated bone resorption MERCK & CO., INC. (US) 1999-07-27 US 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