SCHEMBL29675650

SCHEMBL29675650

CCCOc1ccc(C(C)(C)NC(C)=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 10/20 0.86
▸ PLK1 P53350 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ FAAH O00519 1/20 0.46

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
SCHEMBL12001074 0.96 ACACB (0.80) ACACBPLK1KDM4EHTTSMN1; SMN2
SCHEMBL256438 0.93 ACACB (1.00) ACACBPLK1
SCHEMBL12001190 0.82 ACACB (0.68) ACACBSMN1; SMN2MAPTGAA
SCHEMBL256437 0.81 ACACB (1.00) ACACB
SCHEMBL27254652 0.79 ACACB (0.54) ACACBSMN1; SMN2MAPTGAA
SCHEMBL19079018 0.76 PLK1 (0.69) ACACBPLK1KDM4EHTTSMN1; SMN2
SCHEMBL255804 0.76 ACACB (0.81) ACACBPLK1MAPTALDH1A1GAA
SCHEMBL12001062 0.76 ACACB (0.81) ACACBPLK1KDM4EHTTSMN1; SMN2
SCHEMBL12162492 0.74 ACACB (0.52) ACACBSMN1; SMN2MAPTALDH1A1
SCHEMBL24110662 0.74 PLK1 (0.65) ACACBPLK1KDM4EHTTSMN1; SMN2

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — CN claimed
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