SCHEMBL8568846

SCHEMBL8568846

CC(=O)OCC(=O)N(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.63
MEN1 O00255 5/20 0.63
GAA P10253 1/20 0.56
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL21480037 0.87 KMT2A (0.50) KMT2AMEN1GAAKDM4EHTT
SCHEMBL10693508 0.84 KMT2A (0.53) KMT2AMEN1HTTSMN1; SMN2NPC1
SCHEMBL795799 0.81 KMT2A (0.58) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL9639949 0.80 KMT2A (0.56) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL10854787 0.79 KMT2A (0.52) KMT2AMEN1GAAKDM4EHTT
SCHEMBL5696786 0.79 MLYCD (0.69) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL11794701 0.78 ALDH1A1 (0.45) KMT2AMEN1KDM4EHTTSMN1; SMN2
SCHEMBL10691887 0.78 ALDH1A1 (0.43) KMT2AMEN1GAASMN1; SMN2NPC1
SCHEMBL9655428 0.78 ALDH1A1 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10668753 0.78 KMT2A (0.55) KMT2AMEN1GAAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
US-5808152-A Synthesis of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)acetamide using sodium formate BAYER CORPORATION (US) 1998-09-15 US disclosed
US-5808153-A Conversion of N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl) acetamide acetate to N-4-fluorophenyl)-2-hydroxy-N-(1-methylethyl) acetamide BAYER CORPORATION 1998-09-15 US disclosed
US-4833243-A BENZOOXAZOLES OR BENZOTHIAZOLES BAYER AKTIENGESELLSCHAFT (DE) 1989-05-23 US disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4645525-A Azolyoxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1987-02-24 US disclosed
US-4509971-A Benzothiazole substituted carboxylic acid amide compounds and herbicidal methods compositions thereof BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
EP-0007715-B1 THERMOTROPIC POLYESTERAMIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-29 EP disclosed
US-4399285-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0005501-B1 HETEROARYLOXY-ACETAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-11-25 EP disclosed
EP-0007715-A1 Thermotropic polyesteramides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-02-06 EP disclosed
EP-0005501-A2 Heteroaryloxy-acetamides, process for their preparation and their use as herbicides BAYER AG (DE) 1979-11-28 EP disclosed