SCHEMBL21260747

SCHEMBL21260747

COCCN(C)c1ccc(C(O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 18/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL21247352 0.88 CFTR (0.51) CFTRALDH1A1LMNAMAPTHPGD
SCHEMBL22696748 0.81 CFTR (0.53) CFTRALDH1A1MAPTSMN1; SMN2
SCHEMBL21247096 0.74 PTPN1 (0.53) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL21247367 0.71 CFTR (0.52) CFTRALDH1A1LMNAMAPTHPGD
SCHEMBL22680877 0.70 PTPN1 (0.48) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL21250161 0.69 SMN1; SMN2 (0.65) CFTRALDH1A1LMNAMAPTHPGD
SCHEMBL21260703 0.68 CFTR (0.54) CFTR
SCHEMBL21018758 0.68 CFTR (0.55) CFTR
SCHEMBL21248056 0.67 CFTR (0.59) CFTRALDH1A1LMNAMAPTHPGD
SCHEMBL20468190 0.64 CFTR (0.69) CFTR

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-2019154949-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 — — WO disclosed
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