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Aclarubicin

Aclarubicin

SCHEMBL31238004

CC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 1.00
▸ MMP2 P08253 3/20 1.00
▸ HTR2B P41595 2/20 1.00
▸ FNTA P49354 1/20 0.78
▸ FNTB P49356 1/20 0.78
▸ MEN1 O00255 12/20 0.77
▸ KMT2A Q03164 12/20 0.77
▸ RECQL P46063 8/20 0.77
▸ MAPT P10636 7/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.77
▸ USP2 O75604 5/20 0.77
▸ CYP3A4 P08684 5/20 0.77
▸ TP53 P04637 3/20 0.77
▸ HBB P68871 2/20 0.77
▸ BLM P54132 10/20 0.67
▸ THRB P10828 10/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ CASP1 P29466 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ BRCA1 P38398 5/20 0.46

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
Aclarubicin SCHEMBL2804048 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL29390785 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL1649619 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL10061856 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL10201119 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL10079204 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL17035568 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL6255351 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL31277372 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB
Aclarubicin SCHEMBL17167135 1.00 PTGS1 (1.00) PTGS1MMP2HTR2BFNTAFNTB

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed