SCHEMBL7653623

SCHEMBL7653623

NC[C@](N)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
PTPRC P08575 1/20 0.42
PTPN1 P18031 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41

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
SCHEMBL383648 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL27469426 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
Hydrochloric Acid SCHEMBL382325 0.98 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL9629603 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL9110895 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL9073323 0.87 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL9110900 0.87 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL8706009 0.87 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL5972169 0.87 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A
SCHEMBL3404332 0.86 KMT2A (0.50) SMN1; SMN2HIF1AALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205191-C Novel acylguanidine derivatives as inhibitors of bone resorption and vitronectin receptor antagonists EVENTIS PHARMACEUTICALS DEUTSC (DE) 2005-06-08 CN disclosed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
CN-1284950-A Novel acylguanidine derivatives as inhibitors of bone resorption and vitronectin receptor antagonists EVENTIS PHARMACEUTICALS DEUTSC (DE) 2001-02-21 CN disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed
EP-0751783-B1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC USE OF AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMA INC (US) 2000-02-02 EP disclosed
CN-1218047-A Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
CN-1216767-A Novel 5-membered ring heterocycles, their prepn. their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-05-19 CN disclosed
EP-0751783-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1997-01-08 EP disclosed
CN-1134696-A Substituted 5-membered heterocycles, process for their preparation and their use CASSELLA FARBWERKE MAINKUR AG (DE) 1996-10-30 CN disclosed
US-5457196-A Analgesics, hypotensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1995-10-10 US disclosed
US-5455242-A Analgesics, hypotensive or cardiotonic agents, diuretics, antidepressants or suppressors of vascular response after angioplasty MERRELL DOW PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
WO-1995025532-A1 HYPOCHOLESTEROLEMIC, ANTIATHEROSCLEROTIC AND HYPOTRIGLYCERIDEMIC AMINOACETYLMERCAPTO DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-09-28 WO disclosed
US-5428158-A 2-substituted indane-2-mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace MERRELL DOW PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0625987-A1 AMINOACETYLMERCAPTOACETYLAMIDE DERIVATIVES USEFUL AS INHIBITORS OF ENKEPHALINASE AND ACE MERRELL PHARMACEUTICALS INC. (US) 1994-11-30 EP disclosed