SCHEMBL2185240

SCHEMBL2185240

CCCCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.58
ITGA2B P08514 9/20 0.58
ACE P12821 3/20 0.56
ACE2 Q9BYF1 3/20 0.56
CTSK P43235 3/20 0.54
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
MME P08473 1/20 0.52
CPA1 P15085 1/20 0.52
FAAH O00519 2/20 0.52
ITGB1 P05556 1/20 0.52
ITGA4 P13612 1/20 0.52
FPR2 P25090 1/20 0.51

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
SCHEMBL7758997 1.00 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL844471 1.00 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL16124609 0.96 ITGB3 (0.57) ITGB3ITGA2BACEACE2CTSK
SCHEMBL11123914 0.95 CTSL (0.54) ITGB3ITGA2BACEACE2CTSK
SCHEMBL11123913 0.95 CTSL (0.54) ITGB3ITGA2BACEACE2CTSK
SCHEMBL16124604 0.95 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL9936982 0.93 MME (0.61) ITGB3ITGA2BACEACE2MME
SCHEMBL15201783 0.93 MME (0.61) ITGB3ITGA2BACEACE2MME
SCHEMBL3927408 0.91 ACE (0.60) ITGB3ITGA2BACEACE2MME
SCHEMBL10638413 0.91 ITGB3 (0.67) ITGB3ITGA2BACEACE2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121647-A1 ORGANIC THIN FILM TRANSISTORS COMPRISING THIENYL OLIGOMERS AND THEIR USE AS GASEOUS PHASE SENSORS Universita' Degli Studi di Bari (IT) 2009-11-25 EP claimed
WO-2008096239-A1 ORGANIC THIN FILM TRANSISTORS COMPRISING THIENYL OLIGOMERS AND THEIR USE AS GASEOUS PHASE SENSORS UNIVERSITA' DEGLI STUDI DI BARI (IT) 2008-08-14 WO claimed
EP-1451163-A4 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM IND CO LTD (KR) 2005-01-26 EP claimed
EP-1451163-A1 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARMACEUTICAL INDUSTRIAL CO. LTD. (KR) 2004-09-01 EP claimed
WO-2003040113-A1 3-AMIDO-1,2-BENZOISOXAZOLE DERIVATIVES, PROCESS FOR PREPARATION, AND USE THEREOF DONG WHA PHARM. IND. CO., LTD. (KR) 2003-05-15 WO claimed
EP-0274999-A2 Resin support for solid phase peptide synthesis MONSANTO COMPANY (US) 1988-07-20 EP claimed
JP-4327592-A None JP disclosed
EP-3429354-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF Chromadex Inc. (US) 2019-01-23 EP disclosed
WO-2017161165-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 WO disclosed
EP-2346882-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID Millennium Pharmaceuticals, Inc. (US) 2011-07-27 EP disclosed
EP-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-7605159-B2 Cathepsin cysteine protease inhibitors and their use ASTRAZENECA AB (SE) 2009-10-20 US disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed
EP-0001684-B1 TETRAPEPTIDES, METHODS FOR THEIR PREPARATION AND THEIR USE IN ANALGESIC COMPOSITIONS ELI LILLY AND COMPANY (US) 1981-09-02 EP disclosed
US-4277404-A INTERMEDIATES FOR TRANQUILIZERS PFIZER INC. (US) 1981-07-07 US disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed
US-4252812-A TRANQUILIZERS PFIZER INC. (US) 1981-02-24 US disclosed
US-4224329-A TRANQUILIZERS PFIZER INC. (US) 1980-09-23 US disclosed
EP-0001684-A2 Tetrapeptides, methods for their preparation and their use in analgesic compositions ELI LILLY AND COMPANY (US) 1979-05-02 EP disclosed