SCHEMBL31362115

SCHEMBL31362115

C=C(C)CCC1=C(O)C(O)(CCC(=C)C)C(=O)C(C(=O)CCC)=C1O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 8/20 0.45
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL31362122 0.87 FASN (0.38) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL26468541 0.73 FASN (0.41) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL26468494 0.70 ALOX5 (0.74) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL26468536 0.66 FASN (0.46) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL30212099 0.65 FASN (0.91) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL6125223 0.65 ALOX5 (0.54) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL30212070 0.64 FASN (0.82) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL30428294 0.63 ALOX5 (0.69) FASNKDM4EMEN1AKR1B10ALOX5
SCHEMBL30212096 0.62 FASN (1.00) FASN
SCHEMBL28042116 0.61 FASN (0.44) FASN

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
CN-119263971-A Preparation method of cyclopentenone compound and salt thereof and application of cyclopentenone compound in treating cerebral apoplexy 中国医学科学院药物研究所 2025-01-07 — — CN disclosed
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