Nogalamycin

Nogalamycin

SCHEMBL1649692

COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](OC2OC(C)C(OC)C(C)(OC)C2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@]2(C)[C@H](O)[C@@H](N(C)C)[C@@H]1O

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.72
ALDH1A1 P00352 2/20 0.72
CYP1A2 P05177 2/20 0.72
HPGD P15428 2/20 0.72
ALOX15 P16050 2/20 0.72
CYP2D6 P10635 1/20 0.72
MEN1 O00255 3/20 0.45
USP2 O75604 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
THRB P10828 2/20 0.45
BLM P54132 2/20 0.45
CASP1 P29466 1/20 0.45
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 2/20 0.41
HBB P68871 2/20 0.41
RGS12 O14924 1/20 0.39

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
Nogalamycin SCHEMBL4472 1.00 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDALOX15
Nogalamycin SCHEMBL4473 1.00 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDALOX15
Nogalamycin SCHEMBL29356331 1.00 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDALOX15
Nogalamycinic Acid SCHEMBL30055177 0.95 HSD17B10 (0.65) HSD17B10ALDH1A1CYP1A2HPGDALOX15
SCHEMBL18567081 0.91 HSD17B10 (0.72) HSD17B10ALDH1A1CYP1A2HPGDALOX15
Disnogamycin SCHEMBL29390994 0.88 HSD17B10 (0.55) HSD17B10ALDH1A1CYP1A2HPGDALOX15
Disnogamycin SCHEMBL26459009 0.88 HSD17B10 (0.55) HSD17B10ALDH1A1CYP1A2HPGDALOX15
SCHEMBL3345418 0.84 HSD17B10 (1.00) HSD17B10ALDH1A1CYP1A2HPGDALOX15
SCHEMBL11468050 0.84 HSD17B10 (1.00) HSD17B10ALDH1A1CYP1A2HPGDALOX15
SCHEMBL18593716 0.77 HSD17B10 (0.52) HSD17B10ALDH1A1CYP1A2HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337682-A1 BACILLUS VELEZENSIS, FERMENTATION METHOD, FERMENTATION PRODUCT AND ITS APPLICATION HUNAN VEGETABLE RES INSTITUTE (CN) 2023-10-26 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed