SCHEMBL1381539

SCHEMBL1381539

CS(=O)(=O)CCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 17/20 0.59
▸ ALDH1A1 P00352 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTGS2 P35354 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1379173 0.93 F10 (0.57) F10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8324993 0.91 F10 (0.59) F10ALDH1A1KMT2APTGS2
SCHEMBL1383122 0.88 F10 (0.60) F10PTGS2
SCHEMBL1382884 0.85 F10 (0.55) F10ALDH1A1SMN1; SMN2
SCHEMBL6181035 0.85 F10 (0.60) F10ALDH1A1KMT2A
SCHEMBL1380646 0.84 F10 (0.62) F10PTGS2
SCHEMBL1679321 0.84 F10 (0.65) F10PTGS2
SCHEMBL1380603 0.84 F10 (0.59) F10ALDH1A1PTGS2
SCHEMBL6182831 0.84 F10 (0.59) F10PTGS2SMN1; SMN2
SCHEMBL1380185 0.84 F10 (0.52) F10ALDH1A1

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
JP-4699985-B2 — — 2011-06-15 — — JP claimed
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