SCHEMBL20725736

SCHEMBL20725736

CC(C)CC[C@@H]1C(=O)C(C(=O)CC(C)C)=C(O)C1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ SLC25A5 P05141 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
SCHEMBL13823280 1.00 KDM4E (0.33) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL12241230 1.00 KDM4E (0.33) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL13350546 0.90 KDM4E (0.34) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL16906165 0.88 KDM4E (0.32) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL14069391 0.86 SLC25A5 (0.30) KDM4EMEN1AKR1B10ALOX5KMT2A
SCHEMBL20725766 0.85 PTPN1 (0.37) KDM4E
SCHEMBL20725713 0.83 — —
SCHEMBL823176 0.83 ALOX5 (0.31) ALOX5
SCHEMBL13922245 0.81 — —
SCHEMBL22422584 0.81 SLC25A5 (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870133-B1 TETRAHYDRO-ISOHUMULONE DERIVATIVES, METHODS OF MAKING AND USING KINDEX PHARMACEUTICALS INC (US) 2019-02-13 — — EP disclosed
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