SCHEMBL4438781

SCHEMBL4438781

CC(=O)CC(=O)NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.49
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
Acetoacetic Acid SCHEMBL28811855 0.83 ALDH1A1 (0.45) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL9203017 0.82 NPC1 (0.55) ALDH1A1GAAKDM4ESMN1; SMN2MEN1
SCHEMBL7699974 0.82 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL8799020 0.82 SMN1; SMN2 (0.64) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL3363210 0.82 ALDH1A1 (0.67) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL9823973 0.81 MAPT (0.46) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL6427320 0.80 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL19100020 0.79 ALDH1A1 (0.58) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL863064 0.79 ALDH1A1 (0.63) ALDH1A1GAAKDM4ESMN1; SMN2MAPT
SCHEMBL7089789 0.78 ALDH1A1 (0.49) ALDH1A1GAAKDM4ESMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US claimed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP claimed
WO-2002038549-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS CLARIANT FINANCE (BVI) LTD. (GB) 2002-05-16 WO claimed
US-3939140-A Process for the preparation of a dyestuff consisting substantially of only unsymmetrical 1:2-chromium complex azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
WO-2017004343-A1 FEEDSTOCK COMPOSITIONS CONTAINING MULTIPLE POPULATIONS OF MICROCAPSULES AND METHODS FOR MAKING THE PROCTER & GAMBLE COMPANY (US) 2017-01-05 WO disclosed
EP-2866792-A2 MICROPARTICLE FORMULATIONS FOR DELIVERY TO THE LOWER AND CENTRAL RESPIRATORY TRACT AND METHODS OF MANUFACTURE Ansun Biopharma, Inc. (US) 2015-05-06 EP disclosed
WO-2014005103-A2 MICROPARTICLE FORMULATIONS FOR DELIVERY TO THE LOWER AND CENTRAL RESPIRATORY TRACT AND METHODS OF MANUFACTURE ANSUN BIOPHARMA, INC. (US) 2014-01-03 WO disclosed
EP-2094828-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE APPLETON PAPERS INC. (US) 2009-09-02 EP disclosed
WO-2008063635-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE APPLETON PAPERS INC. (US) 2008-05-29 WO disclosed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN disclosed
US-20040107518-A1 Hetero-anellated ortho-aminophenols and their use as dye components CLARIANT FINANCE (BVI) LIMITED (BR) 2004-06-10 US disclosed
EP-1335905-A1 HETERO-ANELLATED ORTHO-AMINOPHENOLS AND THEIR USE AS DYE COMPONENTS Clariant International Ltd. (CH) 2003-08-20 EP disclosed
US-4264494-A Chromium complex dyestuffs for natural polyamides and synthetic nylons BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
US-4220701-A DIAZO SYSTEM, SEMICONDUCTOR OXIDES WHICH DESORB HYDROXYL IONS UNDER ACTION OF PRIMARY COLOR RADIATION ROVAL S.A. (CH) 1980-09-02 US disclosed
US-4213897-A FOR DYEING PAPER SANDOZ LTD. (CH) 1980-07-22 US disclosed
US-4213897-A FOR DYEING PAPER SANDOZ LTD. (CH) 1980-07-22 US disclosed
US-4212801-A Unsymmetrical 1:2-chromium complexes containing an azo and an azomethine bond BASF AKTIENGESELLSCHAFT (DE) 1980-07-15 US disclosed
US-4052374-A UNSYMMETRICAL 1:2-CHROMIUM COMPLEXES CONTAINING AN AZO COMPOUND AND AN AZOMETHINE COMPOUND BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-3994872-A SOLUBILITY CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed
US-3939140-A Process for the preparation of a dyestuff consisting substantially of only unsymmetrical 1:2-chromium complex azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed