SCHEMBL11340429

SCHEMBL11340429

CC(C)(C)c1cc(N2C(=O)NC(CO)C2CO)no1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HTR7 P34969 1/20 0.42
EGFR P00533 3/20 0.36
CNR2 P34972 10/20 0.35
CNR1 P21554 8/20 0.35
FLT3 P36888 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19564565 0.79 ALOX15 (0.41) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL11043485 0.77 ALOX15 (0.47) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL19564571 0.77 MEN1 (0.43) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL11016899 0.72 ALOX15 (0.46) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL17374357 0.70 ALOX15 (0.41) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL17374562 0.70 ALOX15 (0.41) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL21933124 0.70 ALOX15 (0.43) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL11014819 0.69 HTR7 (0.46) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL11090159 0.69 HTR7 (0.46) ALOX15MEN1KMT2AALDH1A1HTR7
SCHEMBL11340395 0.69 MEN1 (0.37) ALOX15MEN1KMT2AALDH1A1HTR7

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-0034456-A1 3-(Substituted 3- or 5-isoxazolyl)-1-4-, or 5-substituted-2-imidazolidinones, methods for their preparation, compositions containing them and their use as herbicides PPG INDUSTRIES, INC. (US) 1981-08-26 EP disclosed