SCHEMBL20725766

SCHEMBL20725766

CCCC(=O)C1=C(O)C(O)C(CCC(C)C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.37
▸ FASN P49327 3/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ CDC25B P30305 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ HPSE Q9Y251 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B3 P37058 1/20 0.30

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
SCHEMBL12241230 0.85 KDM4E (0.33) KDM4E
SCHEMBL13823280 0.85 KDM4E (0.33) KDM4E
SCHEMBL20725736 0.85 KDM4E (0.33) KDM4E
SCHEMBL823176 0.80 ALOX5 (0.31) —
SCHEMBL31362119 0.79 FASN (0.34) PTPN1FASNSMN1; SMN2MAPTACP1
SCHEMBL13823277 0.79 KDM4E (0.31) MAPTKDM4E
SCHEMBL20725713 0.75 — —
SCHEMBL16906165 0.73 KDM4E (0.32) KDM4E
SCHEMBL14069391 0.72 SLC25A5 (0.30) KDM4E
SCHEMBL20714419 0.71 KDM4E (0.30) KDM4E

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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