SCHEMBL26773189

SCHEMBL26773189

CCOC(=O)CN(C(=O)COc1c(F)c(F)cc(F)c1F)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PSMB5 P28074 8/20 0.38
▸ NLRP3 Q96P20 1/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ CASP8 Q14790 2/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SRD5A2 P31213 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL26779258 0.89 PSMB5 (0.41) KDM4EHTTPSMB5MAPK1LMNA
SCHEMBL26773187 0.85 KDM4E (0.49) KDM4EALDH1A1HTTMAPTPSMB5
SCHEMBL956347 0.78 KDM4E (0.46) KDM4EALDH1A1HTTMAPTNLRP3
SCHEMBL26779100 0.71 CA12 (0.42) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL22307837 0.70 KDM4E (0.55) KDM4EALDH1A1HTTMAPTCASP3
SCHEMBL22308325 0.68 MAPT (0.49) KDM4EALDH1A1HTTMAPTCASP3
SCHEMBL9368682 0.68 NLRP3 (0.40) MAPTNLRP3CASP7MAPK1L3MBTL1
SCHEMBL22307313 0.67 MAPT (0.56) KDM4EALDH1A1HTTMAPTCASP3
SCHEMBL25985226 0.67 KDM4E (0.52) KDM4EALDH1A1HTTMAPTCASP3
SCHEMBL11293873 0.67 TAS1R3 (0.38) KDM4EALDH1A1HTTMAPTNLRP3

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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