SCHEMBL23480278

SCHEMBL23480278

CCCCCCNC(=O)Cc1c(C)c2cc(F)c(O)c(F)c2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ PTPN5 P54829 1/20 0.50
▸ PTPN11 Q06124 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CDYL Q9Y232 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL23480253 0.84 CTDSP1 (0.45) CTDSP1DUSP3PTPN5PTPN11KDM4E
SCHEMBL23480250 0.83 CTDSP1 (0.45) CTDSP1DUSP3PTPN5PTPN11KDM4E
SCHEMBL13917922 0.83 CTDSP1 (0.45) CTDSP1DUSP3PTPN5PTPN11CDYL
SCHEMBL13554387 0.82 CTDSP1 (0.43) CTDSP1DUSP3PTPN5PTPN11CDYL
SCHEMBL10026010 0.81 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11
SCHEMBL10026113 0.80 CTDSP1 (0.51) CTDSP1DUSP3PTPN5PTPN11
SCHEMBL1985951 0.80 POLB (0.53) CTDSP1DUSP3PTPN5PTPN11
SCHEMBL23471909 0.79 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL10059390 0.78 HSD17B3 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16645386 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MAPT

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-2021110834-A2 COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING ETH ZURICH (CH) 2021-06-10 — — WO disclosed
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