Drummondin A

Drummondin A

SCHEMBL31237529

CCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(=O)CC)c2O)OC(C)(C)C=C3)C1=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3483228 0.84 PTGES (0.41) FASNKDM4EALDH1A1MEN1MAPT
Uliginosin B SCHEMBL20301647 0.75 FASN (0.41) FASNKDM4EALDH1A1MEN1MAPT
SCHEMBL30212094 0.72 FASN (0.68) FASNALDH1A1MAPTPOLB
SCHEMBL4742082 0.69 FASN (0.63) FASNPTGESALOX5
SCHEMBL30212107 0.67 FASN (0.77) FASNPTGESALOX5
Butyrylmallotochromene SCHEMBL31238070 0.64 ALDH1A1 (0.54) FASNKDM4EALDH1A1MEN1MAPT
SCHEMBL4962391 0.62 FASN (0.64) FASNALDH1A1TDP1SMN1; SMN2HPGD
SCHEMBL155672 0.62 FASN (0.48) FASN
Mallotochromene SCHEMBL30616016 0.62 KDM4E (0.59) FASNKDM4EALDH1A1MEN1MAPT
Desaspidin SCHEMBL29613713 0.61 FASN (0.51) FASNMEN1MAPTKMT2APTGES

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
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