SCHEMBL1937347

SCHEMBL1937347

Cc1ccc(OC(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.48
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALOX5 P09917 1/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL3962151 0.84 DAO (0.31) DAOTP53
SCHEMBL11788283 0.83 LMNA (0.43) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL25352415 0.81 DAO (0.42) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL4769604 0.81 DAO (0.42) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL10740706 0.79 KMT2A (0.42) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL9574960 0.79 DAO (0.41) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL3411329 0.75 LMNA (0.46) DAOALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL20357540 0.75 DAO (0.37) DAOALDH1A1KMT2ANPC1TDP1
SCHEMBL486042 0.74 DAO (0.48) DAOALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL5763046 0.74 DAO (0.48) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed
EP-0952154-B1 N-acyl and N-aroyl aralkyl amides PFIZER PROD INC (US) 2004-08-18 EP claimed
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
EP-1411932-B1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER SCHERING PHARMA AG (DE) 2010-02-10 EP disclosed
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
EP-1937271-A1 MICROANGIOPATHY TREATMENT AND PREVENTION Bayer HealthCare AG (DE) 2008-07-02 EP disclosed
EP-0963993-A2 Process for preparing silanes with functional group at carbon-3 Degussa-Hüls Aktiengesellschaft (DE) 1999-12-15 EP disclosed
EP-0220250-A1 UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 1987-05-06 EP disclosed
EP-0220220-A1 Process of preparing 2,2-dibromo-3-oxonitriles. HENKEL KGAA (DE) 1987-05-06 EP disclosed
WO-1986006254-A1 UTILIZATION OF NITRILES AS ANTIMICROBIAL AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-06 WO disclosed
WO-1986006369-A1 ANTI-MICROBIAL NITRILE AND ITS PRODUCTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-11-06 WO disclosed
EP-0089011-B1 PROCESS FOR THE PREPARATION OF 5-OXONITRILES Degussa Aktiengesellschaft (DE) 1985-07-10 EP disclosed
EP-0089011-A1 Process for the preparation of 5-oxonitriles Degussa Aktiengesellschaft (DE) 1983-09-21 EP disclosed