SCHEMBL29823844

SCHEMBL29823844

CC(C)=CC[C@@H]1C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ AKR1B10 O60218 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 3/20 0.31
▸ EPAS1 Q99814 3/20 0.31
▸ FFAR1 O14842 1/20 0.31

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
SCHEMBL29823181 1.00 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL1706160 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL29823542 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL13823271 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL14069341 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL2343789 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL823104 0.89 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL13649104 0.79 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL18409844 0.73 KDM4E (0.41) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL13922745 0.72 KDM4E (0.54) KDM4EMEN1AKR1B10ALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12253482-B2 Method for determining structure of substance in multicomponent sample KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2025-03-18 — — US disclosed
US-20220381708-A1 METHOD FOR DETERMINING STRUCTURE OF SUBSTANCE IN MULTICOMPONENT SAMPLE KIRIN HOLDINGS KABUSHIK KAISHA (JP) 2022-12-01 — — US disclosed
EP-4053549-A1 METHOD FOR DETERMINING STRUCTURE OF SUBSTANCE IN MULTICOMPONENT SAMPLE KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2022-09-07 — — EP disclosed
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