SCHEMBL10690086

SCHEMBL10690086

O=C(COC(=O)Cc1ccccc1)Nc1ccccc1CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
PAM P19021 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 2/20 0.51
KLK7 P49862 1/20 0.51
GAA P10253 1/20 0.50
NR4A1 P22736 1/20 0.49
TP53 P04637 1/20 0.48
RECQL P46063 1/20 0.48
KLK6 Q92876 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL10694390 0.88 ALDH1A1 (0.61) ALDH1A1L3MBTL1THRBHPGDPAM
SCHEMBL10692445 0.85 SMN1; SMN2 (0.61) ALDH1A1L3MBTL1HPGDMAPTRECQL
SCHEMBL10690219 0.78 ALDH1A1 (0.59) ALDH1A1L3MBTL1HPGDMAPTGAA
SCHEMBL10694410 0.78 KLK7 (0.76) ALDH1A1L3MBTL1PAMKLK7GAA
SCHEMBL10689558 0.77 SMN1; SMN2 (0.58) ALDH1A1L3MBTL1HPGDMAPTGAA
SCHEMBL10693834 0.77 SMN1; SMN2 (0.58) ALDH1A1L3MBTL1HPGDMAPTRECQL
SCHEMBL10693200 0.75 SMN1; SMN2 (0.56) ALDH1A1L3MBTL1HPGDMAPTMEN1
SCHEMBL10693670 0.75 EPHX2 (0.56)
SCHEMBL10695972 0.75 EPHX2 (0.56) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL10693447 0.74 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1HPGDMAPTKLK7

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 1 patent. 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