SCHEMBL7233113

SCHEMBL7233113

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 6/20 0.41
HTT P42858 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GLA P06280 2/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
POLQ O75417 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL8430657 0.83 KMT2A (0.44) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL7233782 0.81 CYP3A4 (0.38) KMT2AMEN1CYP2C19CYP3A4ALDH1A1
SCHEMBL5143989 0.81 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL5718470 0.80 RIPK1 (0.40) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL11839476 0.80 CYP2A6 (0.41) NPC1RAB9AL3MBTL1
SCHEMBL10959895 0.79 NPSR1 (0.50) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL7034982 0.79 KMT2A (0.47) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL6626142 0.78 KMT2A (0.46) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL10691887 0.78 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4
SCHEMBL9435677 0.76 KMT2A (0.45) KMT2AMEN1SMN1; SMN2CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202981-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-05-08 EP claimed
WO-2001005777-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO claimed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
US-6544931-B1 For controlling plant growth BAYER AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
EP-1202981-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-05-08 EP disclosed
WO-2001005777-A1 SUBSTITUTED HETEROARYLOXYACETANILIDES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed