SCHEMBL29387296

SCHEMBL29387296

CCCC(=O)C1=C(O)C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)=C(O)C(C)(C)C1=O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 10/20 0.59
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAK1 Q13153 1/20 0.42
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HMGCR P04035 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PLA2G5 P39877 1/20 0.33

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
SCHEMBL30212085 0.96 FASN (0.66) FASNMEN1KMT2APAK1PTGES
SCHEMBL30212080 0.94 FASN (0.66) FASNMEN1KMT2APAK1PTGES
Desaspidin SCHEMBL2732746 0.89 FASN (0.51) FASNMEN1KMT2APAK1PTGES
Desaspidin SCHEMBL29613713 0.89 FASN (0.51) FASNMEN1KMT2APAK1PTGES
SCHEMBL30212097 0.86 FASN (0.59) FASNMEN1KMT2APAK1HMGCR
SCHEMBL30212088 0.84 FASN (0.72) FASNPTGESALOX5FFAR1PLA2G2A
SCHEMBL30212066 0.82 FASN (0.72) FASNPTGESALOX5FFAR1PLA2G2A
SCHEMBL30212065 0.82 FASN (0.72) FASNPTGESALOX5FFAR1PLA2G2A
SCHEMBL30212078 0.80 FASN (0.63) FASNPTGESALOX5PLA2G2APLA2G5
Desaspidin SCHEMBL28086151 0.80 FASN (0.42) FASNMEN1KMT2APAK1

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
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 — — US disclosed
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