SCHEMBL995975

SCHEMBL995975

COc1ccc(C=CC(=O)c2cc3c(cc2OCCN2CCOCC2)OCS3(=O)=O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1AN Q9NWT6 9/20 0.51
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
TUBB1 Q9H4B7 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL996364 1.00 HIF1AN (0.51) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL997895 0.96 HIF1AN (0.48) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL997896 0.96 HIF1AN (0.48) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL998195 0.87 HIF1AN (0.54) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL998194 0.87 HIF1AN (0.54) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL997271 0.84 TUBB1 (0.48) SMN1; SMN2KDM4EALDH1A1TUBB1LMNA
SCHEMBL997270 0.84 TUBB1 (0.48) SMN1; SMN2KDM4EALDH1A1TUBB1LMNA
SCHEMBL997056 0.84 TUBB1 (0.58) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL997051 0.84 TUBB1 (0.58) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E
SCHEMBL998657 0.83 HIF1AN (0.51) HIF1ANKEAP1NFE2L2SMN1; SMN2KDM4E

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-2011009826-A2 NOVEL CHALCONE DERIVATIVES WITH CYTOTOXIC ACTIVITY ADAMED Sp.z o.o. (PL) 2011-01-27 WO disclosed