SCHEMBL11743094

SCHEMBL11743094

CCC(=O)C1=C(O)OC(C)(C)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 4/20 0.40
▸ PTPN1 P18031 4/20 0.37
▸ ACP1 P24666 2/20 0.37
▸ CDC25B P30305 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL11742802 0.86 PTPN1 (0.41) FASNPTPN1ACP1CDC25BALDH1A1
SCHEMBL3967996 0.71 EGLN1 (0.44) PTPN1ALDH1A1L3MBTL1
SCHEMBL12033661 0.67 PTPN1 (0.42) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL11621821 0.67 ALDH1A1 (0.46) PTPN1ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL1356857 0.64 PTPN1 (0.62) PTPN1ACP1CDC25BALDH1A1L3MBTL1
SCHEMBL11641602 0.64 LMNA (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL9730908 0.64 — —
SCHEMBL8167912 0.63 PTPN1 (0.35) PTPN1ACP1CDC25BALDH1A1LMNA
SCHEMBL8161916 0.63 PTPN1 (0.35) PTPN1ACP1CDC25BALDH1A1LMNA
SCHEMBL13940526 0.62 ALDH1A1 (0.43) PTPN1ALDH1A1L3MBTL1LMNASMN1; SMN2

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
US-4008067-A HERBICIDE NIPPON SODA COMPANY, LIMITED (JA) 1977-02-15 — — US disclosed
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