SCHEMBL2193250

SCHEMBL2193250

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.57
▸ F2 P00734 3/20 0.53
▸ PRSS1 P07477 3/20 0.53
▸ PRSS2 P07478 3/20 0.53
▸ PRSS3 P35030 3/20 0.53
▸ CTSL P07711 4/20 0.52
▸ SIRT5 Q9NXA8 3/20 0.52
▸ KDM1A O60341 4/20 0.51
▸ MAOA P21397 2/20 0.51
▸ RCOR1 Q9UKL0 2/20 0.51
▸ KDM1B Q8NB78 1/20 0.51
▸ SIRT1 Q96EB6 3/20 0.50
▸ SIRT2 Q8IXJ6 3/20 0.50
▸ SIRT3 Q9NTG7 2/20 0.50

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
SCHEMBL17289476 0.97 SIRT5 (0.55) SSTR3F2PRSS1PRSS2PRSS3
SCHEMBL2268022 0.95 SIRT5 (0.57) SSTR3F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10884941 0.94 SIRT5 (0.56) SSTR3F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10943848 0.94 SIRT5 (0.56) SSTR3F2PRSS1PRSS2PRSS3
SCHEMBL1088124 0.94 SSTR3 (0.54) SSTR3F2PRSS1PRSS2PRSS3
SCHEMBL30541917 0.90 SSTR3 (0.51) SSTR3F2CTSLSIRT5SIRT1
Hydrochloric Acid SCHEMBL10946482 0.90 SIRT2 (0.49) SSTR3SIRT5SIRT1SIRT2SIRT3
SCHEMBL14264834 0.90 SIRT5 (0.51) SIRT5SIRT1SIRT2SIRT3
SCHEMBL236067 0.90 SIRT5 (0.51) SIRT5SIRT1SIRT2SIRT3
Hydrochloric Acid SCHEMBL10960457 0.90 SIRT2 (0.49) SSTR3SIRT5SIRT1SIRT2SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728008-A Compounds for identifying beta-lactamases and methods of use thereof 加利福尼亚大学董事会 2022-07-08 — — CN disclosed
US-11319516-B2 Use of cysteine endoprotease for reducing cloudiness in drinks MALTERIES SOUFFLET (FR) 2022-05-03 — — US disclosed
US-9993531-B2 Formulation for oral administration of proteins IMMUNOGENICS LLC (US) 2018-06-12 — — US disclosed
EP-2321640-B1 FORMULATION FOR ORAL ADMINISTRATION OF PROTEINS IMMUNOGENICS LLC (US) 2016-11-30 — — EP disclosed
US-20160235825-A1 Formulation for Oral Administration of Proteins MATTRESS LIQUIDATORS, INC. 2016-08-18 — — US disclosed
US-20150184146-A1 Formulation for Oral Administration of Proteins ALVINE PHARMACEUTICALS, INC. 2015-07-02 — — US disclosed
US-8980254-B2 Formulation for oral administration of proteins ALVINE PHARMACEUTICALS, INC. (US) 2015-03-17 — — US disclosed
US-20110171201-A1 Formulation for Oral Administration of Proteins MATTRESS LIQUIDATORS, INC. 2011-07-14 — — US disclosed
US-20100022018-A1 RAPID DETECTION OF SULFHYDRYL COMPOUNDS USING A PAPAIN BASED ASSAY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-28 — — US disclosed
WO-2008066832-A2 RAPID DETECTION OF SULFHYDRYL COMPOUNDS USING A PAPAIN BASED ASSAY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-06-05 — — WO disclosed
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