SCHEMBL10692515

SCHEMBL10692515

O=C(Cc1ccccc1)OCC(=O)N(Cc1cccnc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
PAM P19021 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 6/20 0.45
TP53 P04637 6/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL10694467 0.86 GAA (0.54) GAATSHRALDH1A1LMNATP53
SCHEMBL10693889 0.80 GAA (0.62) GAATSHRALDH1A1LMNATP53
SCHEMBL22289326 0.80 GAA (0.73) GAATSHRALDH1A1LMNACYP3A4
SCHEMBL10693228 0.77 KMT2A (0.62) PAMALDH1A1TP53MAPTNPC1
SCHEMBL11835262 0.76 GAA (0.63) GAATSHRALDH1A1LMNACYP3A4
SCHEMBL3331879 0.74 GAA (0.61) GAATSHRALDH1A1LMNAMAPT
SCHEMBL10692613 0.74 PAM (0.64) TSHRPAMALDH1A1POLBMAPT
SCHEMBL10988833 0.73 PDK1 (0.47) GAATSHRTP53CYP3A4KMT2A
SCHEMBL9090353 0.73 ALDH1A1 (0.69) PAMALDH1A1LMNAPOLBCYP3A4
SCHEMBL28807373 0.72 GAA (0.70) GAATSHRALDH1A1LMNAPOLB

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 2 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 disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed