SCHEMBL9504774

SCHEMBL9504774

CC(C)CN(O)C(=O)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SCN1A P35498 2/20 0.45
SCN2A Q99250 2/20 0.45
SCN3A Q9NY46 2/20 0.45
BCAT2 O15382 1/20 0.40
TACR1 P25103 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.39
CLPP Q16740 2/20 0.38
HNF4A P41235 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
SCHEMBL9508171 0.79 KMT2A (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL7445918 0.76 MEN1 (0.86) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
Hydrogen Sulfide SCHEMBL28029146 0.74 MEN1 (0.83) KMT2AMEN1SMN1; SMN2ALDH1A1SCN1A
SCHEMBL5951434 0.70 BCAT2 (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL19435298 0.70 MEN1 (0.63) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL17559748 0.70 MEN1 (0.63) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL2346836 0.69 HNF4A (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
Benzene SCHEMBL28175839 0.69 HNF4A (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL30578395 0.69 HNF4A (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2
SCHEMBL10029709 0.69 BCAT2 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1BCAT2

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-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed