SCHEMBL13600960

SCHEMBL13600960

CCCCc1oc2ccccc2c1/C=C(\C)C(=O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 13/20 0.52
▸ PTPN1 P18031 3/20 0.43
▸ EYA3 Q99504 2/20 0.43
▸ TTR P02766 1/20 0.43
▸ KDM5A P29375 1/20 0.39
▸ KDM7A Q6ZMT4 1/20 0.39

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
SCHEMBL4503396 1.00 SIRT3 (0.52) SIRT3PTPN1EYA3TTRKDM5A
SCHEMBL31314568 0.78 SIRT3 (0.66) SIRT3PTPN1EYA3TTR
SCHEMBL4503394 0.76 SIRT3 (0.55) SIRT3PTPN1EYA3TTRKDM5A
SCHEMBL31314684 0.74 SIRT3 (0.74) SIRT3PTPN1EYA3TTRKDM5A
SCHEMBL1856963 0.71 PTPN1 (0.52) PTPN1EYA3TTR
SCHEMBL1854472 0.68 PTPN1 (0.51) PTPN1EYA3TTR
SCHEMBL1854471 0.68 PTPN1 (0.51) PTPN1EYA3TTR
SCHEMBL2985769 0.68 PTPN1 (0.48) PTPN1EYA3TTR
SCHEMBL31314611 0.68 SIRT3 (0.65) SIRT3PTPN1EYA3TTR
SCHEMBL27992957 0.66 EYA3 (0.80) SIRT3PTPN1EYA3TTRKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 — — US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 — — US disclosed
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