SCHEMBL22917543

SCHEMBL22917543

CC(C)C(=O)C1COCCN1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
FKBP1A P62942 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL22917542 0.86 CA12 (0.33) CA12CA1CA2CA9FKBP1A
SCHEMBL22917626 0.79 CA12 (0.35) CA12CA1CA2CA9FKBP1A
SCHEMBL14558068 0.79 CA12 (0.35) CA12CA1CA2CA9FKBP1A
SCHEMBL7995182 0.77 CA12 (0.39) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL23698589 0.76 ALDH1A1 (0.34) CA12CA1CA2CA9FKBP1A
SCHEMBL25081496 0.72 PKM (0.31) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL30467117 0.71 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL21348187 0.71 PIK3CD (0.32)
SCHEMBL27393148 0.70 MAPT (0.40) SMN1; SMN2ALDH1A1
SCHEMBL19388466 0.70 SMN1; SMN2 (0.46) CA12CA1CA2CA9FKBP1A

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-2021016102-A1 INHIBITORS OF TYROSINE KINASE BRIDGENE BIOSCIENCES, INC. (US) 2021-01-28 WO disclosed