SCHEMBL26773187

SCHEMBL26773187

CC(C)N(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CASP3 P42574 12/20 0.42
▸ CASP6 P55212 11/20 0.42
▸ CASP8 Q14790 11/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ PSMB5 P28074 2/20 0.39
▸ SRD5A2 P31213 1/20 0.38

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
SCHEMBL26773189 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL13382341 0.75 TSHR (0.56) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL26779258 0.73 PSMB5 (0.41) KDM4EHTTMAPK1PSMB5
SCHEMBL20827198 0.72 CASP3 (0.55) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL3410954 0.72 MAPT (0.48) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL22307837 0.72 KDM4E (0.55) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL1568464 0.70 PSMB5 (0.60) KDM4EALDH1A1PSMB5SRD5A2
SCHEMBL22307313 0.70 MAPT (0.56) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL25985226 0.70 KDM4E (0.52) KDM4EALDH1A1MAPTHTTCASP3
SCHEMBL3216951 0.69 MAPT (0.50) KDM4EALDH1A1MAPTHTTCASP3

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-2023215559-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ARIA PHARMACEUTICALS, INC. (US) 2023-11-09 — — WO disclosed
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