SCHEMBL9402546

SCHEMBL9402546

CONC(=O)C(C)(C)CC(=O)c1ccc(C(=O)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33

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
SCHEMBL9402963 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1HSD17B10LMNAALOX15
SCHEMBL9184350 0.76 MAPT (0.44) ALDH1A1ALOX15GAARAB9ANPC1
SCHEMBL10432594 0.72 NPC1 (0.39) ALDH1A1MAPK1HSD17B10LMNAALOX15
SCHEMBL10031827 0.71 PGR (0.47) ALDH1A1MAPK1LMNACA2HDAC1
SCHEMBL6919651 0.70 CA1 (0.59) ALDH1A1TDP1RAB9ANPC1MAPT
SCHEMBL5972998 0.70 MAPT (0.53) ALDH1A1TDP1GAARAB9ANPC1
SCHEMBL9781221 0.69 MPO (0.57) ALDH1A1MAPK1LMNAMAPTCA1
SCHEMBL11828224 0.69 GSK3B (0.61) ALDH1A1MAPK1HSD17B10LMNAALOX15
SCHEMBL9402745 0.67 TDP1 (0.44) ALDH1A1LMNATDP1RAB9AMAPT
SCHEMBL9402878 0.67 KMT2A (0.49) ALDH1A1RAB9ANPC1MAPTCA1

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
US-5319123-A Reacting an N-alkoxyamide with an acyl halide in the presence of a hindered base SANDOZ LTD. (CH) 1994-06-07 — — US disclosed
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