SCHEMBL9402634

SCHEMBL9402634

CC(C)(C)C(=O)c1ccc(C(=O)c2cc(C(=O)C(C)(C)C)ccc2C(=O)NOC(C)(C)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ ELANE P08246 5/20 0.36
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ FABP2 P12104 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ CDC25A P30304 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ NEU3 Q9UQ49 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL9402942 0.88 ELANE (0.41) TDP1KDM4EELANENPC1HSD17B10
SCHEMBL9402777 0.86 ELANE (0.36) TDP1KDM4EELANE
SCHEMBL9359013 0.84 ELANE (0.39) TDP1KDM4EELANENPC1HSD17B10
SCHEMBL9358950 0.81 TDP1 (0.37) TDP1KDM4EELANENPC1NR1H4
SCHEMBL9402644 0.81 ELANE (0.41) TDP1KDM4EELANEHSD17B10CDC25A
SCHEMBL9402776 0.81 KDM4E (0.47) TDP1KDM4EELANEHSD17B10CDC25A
SCHEMBL9402795 0.81 TDP1 (0.39) TDP1KDM4EELANENPC1HSD17B10
SCHEMBL9402901 0.80 ELANE (0.36) TDP1KDM4EELANENPC1HSD17B10
SCHEMBL9359357 0.79 MAP2K1 (0.38) TDP1ELANE
SCHEMBL9402931 0.79 RAB9A (0.48) ELANEL3MBTL1NPC1NR1H4LMNA

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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