SCHEMBL761986

SCHEMBL761986

O=C(O)Oc1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.48
LMNA P02545 1/20 0.47
FFAR1 O14842 1/20 0.45
TRPA1 O75762 1/20 0.44
PLAU P00749 2/20 0.44
CYP2A6 P11509 1/20 0.44
F12 P00748 1/20 0.44
NCF1 P14598 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
CNR2 P34972 3/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL28198079 0.98 KLK5 (0.49) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL4353465 0.87 KLK5 (0.51) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL27220785 0.86 KLK5 (0.53) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL28855596 0.85 KLK5 (0.47) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL2230387 0.84 KLK5 (0.49) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL523707 0.84 KLK5 (0.49) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL5716801 0.84 KLK5 (0.49) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL231952 0.83 KLK5 (0.51) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL28197980 0.81 KLK5 (0.47) KLK5NCOA3LMNAFFAR1TRPA1
SCHEMBL6859491 0.80 CNR2 (0.52) KLK5NCOA3LMNAFFAR1TRPA1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP claimed
EP-2554539-B1 Method for producing gamma-spirolactams from cyclic unsaturated carboxylic acids UNIVERSITÄT POTSDAM (DE) 2014-12-10 EP claimed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP claimed
EP-2554539-A1 Method for producing gamma-spirolactams from cyclic unsaturated carboxylic acids Universität Potsdam (DE) 2013-02-06 EP claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
EP-1320523-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER LAMBERT CO (US) 2005-06-22 EP claimed
EP-0934276-B1 ANTHRANILIC ACID DERIVATIVES AS MULTI DRUG RESISTANCE MODULATORS XENOVA LTD (GB) 2003-12-17 EP claimed
EP-1429768-B1 NOVEL MEDICAMENTS FOR INHALATION BOEHRINGER INGELHEIM PHARMA (DE) 2016-11-16 EP disclosed
EP-2554539-B1 Method for producing gamma-spirolactams from cyclic unsaturated carboxylic acids UNIVERSITÄT POTSDAM (DE) 2014-12-10 EP disclosed
EP-2554539-A1 Method for producing gamma-spirolactams from cyclic unsaturated carboxylic acids Universität Potsdam (DE) 2013-02-06 EP disclosed
EP-1670766-B1 Bicyclic imino acid derivatives for the treatment of (inter alia) diseases relating to the locomotor system SANOFI AVENTIS DEUTSCHLAND (DE) 2012-03-21 EP disclosed
EP-1763515-B1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed
EP-1763515-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
US-6426413-B1 SUCH AS (N-BENZYLOXYCARBONYL-HYDRAZINO)-ACETIC ACID TERT-BUTYL ESTER; FOR PREVENTING AND TREATING INTERLEUKIN-MEDIATED DISEASES, APOPTOSIS, AUTOIMMUNE DISEASES, BONE DISORDERS, PROLIFERATIVE DISORDERS, INFECTIONS, AND DEGENERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2002-07-30 US disclosed
EP-1062210-A1 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2000-12-27 EP disclosed
WO-1999046248-A1 1,2-DIAZEPANE DERIVATIVES AS INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-09-16 WO disclosed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 EP disclosed
EP-0707006-B1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 1999-04-07 EP disclosed
EP-0847994-A1 Process for the preparation of mixed anhydrides F. HOFFMANN-LA ROCHE AG (CH) 1998-06-17 EP disclosed
EP-0611774-A1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 EP disclosed