Butyrylmallotochromene

Butyrylmallotochromene

SCHEMBL31238070

CCCC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c2c1OC(C)(C)C=C2

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ USP2 O75604 2/20 0.54
▸ ALOX15 P16050 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ THPO P40225 1/20 0.54
▸ EEF2K O00418 1/20 0.54
▸ GMNN O75496 1/20 0.54

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
Mallotochromene SCHEMBL30616016 0.91 KDM4E (0.59) ALDH1A1KDM4EMEN1MAPTKMT2A
Isomallotochromene SCHEMBL29999048 0.86 KDM4E (0.53) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL30151487 0.74 FASN (0.77) PTGESFASN
Mallotophenone SCHEMBL31237811 0.72 CYP3A4 (0.46) CYP3A4PTGESALOX5FASN
SCHEMBL7530367 0.72 FASN (0.64) PTGESFASN
SCHEMBL30485071 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EPTGESALOX5HSP90AA1
Rottlerin SCHEMBL6694400 0.70 KDM4E (1.00) ALDH1A1KDM4EMEN1MAPTKMT2A
Rottlerin SCHEMBL29928920 0.70 KDM4E (1.00) ALDH1A1KDM4EMEN1MAPTKMT2A
Rottlerin SCHEMBL29772022 0.70 KDM4E (1.00) ALDH1A1KDM4EMEN1MAPTKMT2A
Rottlerin SCHEMBL29584417 0.70 KDM4E (1.00) ALDH1A1KDM4EMEN1MAPTKMT2A

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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