SCHEMBL10694408

SCHEMBL10694408

NC(=O)C(OC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
KLK7 P49862 7/20 0.55
EPHX1 P07099 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PAM P19021 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 1/20 0.44
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42

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
SCHEMBL8460316 0.86 TSHR (0.61) TSHRKLK7ALDH1A1MAPK1L3MBTL1
SCHEMBL10983198 0.81 CYP3A4 (0.44) TSHRKLK7EPHX1ALDH1A1KMT2A
SCHEMBL28555706 0.80 TSHR (0.57) TSHRKLK7ALDH1A1MAPK1L3MBTL1
SCHEMBL4911331 0.79 CRHBP (0.69) TSHRKLK7ALDH1A1MAPK1L3MBTL1
SCHEMBL8054787 0.79 TSHR (0.65) TSHRKLK7ALDH1A1MAPK1L3MBTL1
SCHEMBL24998379 0.79 L3MBTL1 (0.49) KLK7EPHX1ALDH1A1L3MBTL1MEN1
SCHEMBL30183305 0.79 L3MBTL1 (0.49) KLK7EPHX1ALDH1A1L3MBTL1MEN1
SCHEMBL27336664 0.78 ALDH1A1 (0.46) EPHX1ALDH1A1MAPK1KMT2A
SCHEMBL17491377 0.78 SMN1; SMN2 (0.48) EPHX1ALDH1A1MAPK1KMT2A
SCHEMBL28544611 0.77 TSHR (0.54) TSHRKLK7ALDH1A1MAPK1L3MBTL1

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 4 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-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