SCHEMBL10691887

SCHEMBL10691887

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL10693508 0.80 KMT2A (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11778068 0.78 SMN1; SMN2 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL8568846 0.78 KMT2A (0.63) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL7233113 0.78 KMT2A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11771414 0.77 TP53 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2CYP3A4
SCHEMBL8430657 0.76 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL6626142 0.75 KMT2A (0.46) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL28648791 0.75 MEN1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11794701 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL9655428 0.74 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP claimed
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