SCHEMBL3065438

SCHEMBL3065438

CCCCCCCCCCCC(=O)C(O)c1c(CO)cnc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDXK O00764 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ AOX1 Q06278 1/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL27588200 0.82 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27539162 0.82 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27606029 0.82 PDXK (0.42) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27756696 0.81 TLR8 (0.32) PDXK
SCHEMBL27550757 0.80 PDXK (0.40) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28558604 0.79 PDXK (0.49) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28922439 0.77 KDM4E (0.50) PDXKKDM4EALDH1A1HPGDHSD17B10
Palmitic Acid SCHEMBL29361257 0.74 ALDH1A1 (0.63) PDXKKDM4EALDH1A1HPGDHSD17B10
Decanoic Acid SCHEMBL30694319 0.74 ALDH1A1 (0.63) PDXKKDM4EALDH1A1HPGDHSD17B10
SCHEMBL28806636 0.74 KDM4E (0.44) PDXKKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648362-A2 FILM COMPRISING THERAPEUTIC AGENTS Maibach, Todd (US) 2006-04-26 — — EP claimed
WO-2005004989-A2 FILM COMPRISING THERAPEUTIC AGENTS MAIBACH TODD (US) 2005-01-20 — — WO claimed
CN-103945830-B Protein-conjugated polymer micelle 南达科他州立大学 2017-06-06 — — CN disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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