SCHEMBL10537041

SCHEMBL10537041

CCCC(=O)C1=C(O)C(C)C2(CCCCC2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.37
▸ ACP1 P24666 4/20 0.37
▸ CDC25B P30305 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ HPSE Q9Y251 1/20 0.37
▸ FASN P49327 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10533775 0.77 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL10533778 0.77 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL10533767 0.76 FASN (0.35) PTPN1ACP1CDC25BALDH1A1CYP2C9
SCHEMBL10533761 0.75 FASN (0.34) PTPN1ACP1CDC25BALDH1A1MAPT
SCHEMBL10535217 0.74 — —
SCHEMBL10537050 0.74 — —
SCHEMBL10534319 0.72 — —
SCHEMBL10534324 0.72 — —
SCHEMBL9686612 0.68 FASN (0.34) PTPN1ACP1CDC25BALDH1A1CYP2C9
SCHEMBL10534309 0.65 ALDH1A1 (0.33) ALDH1A1MAPT

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
WO-1989010922-A1 SELECTIVE PYRONE HERBICIDES DUNLENA PTY. LIMITED (AU) 1989-11-16 — — WO disclosed
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