SCHEMBL9025859

SCHEMBL9025859

CC(=O)c1cc(C(=O)O)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 1/20 0.39
ALB P02768 1/20 0.38
MAOB P27338 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 1/20 0.36
TSHR P16473 1/20 0.36
NOTUM Q6P988 1/20 0.36
RARB P10826 2/20 0.36
RARA P10276 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
SCHEMBL5872835 0.88 KDM4E (0.52) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL31336112 0.85 CSNK2A1 (0.42) KDM4ESMN1; SMN2ALBMAOBCA12
SCHEMBL9053212 0.84 KEAP1 (0.43) KDM4EASPHKDM8SMN1; SMN2KEAP1
SCHEMBL30753199 0.83 TSHR (0.43) SMN1; SMN2MAOBCA1CA2CA4
SCHEMBL13390 0.83 TSHR (0.43) SMN1; SMN2MAOBCA1CA2CA4
SCHEMBL6561685 0.83 TSHR (0.46) KDM4ESMN1; SMN2KEAP1NFE2L2MAOB
SCHEMBL26292285 0.83 TBK1 (0.45) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL363928 0.80 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL31258575 0.80 KEAP1 (0.50) KDM4EASPHKDM8KEAP1NFE2L2
SCHEMBL9038615 0.80 ALDH1A1 (0.43) KDM4ESMN1; SMN2MAOBCA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8259521-A None JP disclosed
JP-H08259521-A SUBSTITUTED BENZOYL CHLORIDE DERIVATIVE AND ITS PRODUCTION CENTRAL GLASS CO LTD 1996-10-08 JP disclosed