SCHEMBL22338809

SCHEMBL22338809

CC(NC(=O)OC(C)(C)C)C1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 3/20 0.51
MMP2 P08253 2/20 0.51
CA9 Q16790 2/20 0.51
GAA P10253 1/20 0.49
EPHX1 P07099 2/20 0.48
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
CA7 P43166 1/20 0.44
BTK Q06187 1/20 0.43
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CA14 Q9ULX7 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL14037661 1.00 CA1 (0.51) CA1CA2CA12MMP2CA9
SCHEMBL25281173 0.91 CA1 (0.47) CA1CA2CA12MMP2CA9
SCHEMBL24439605 0.91 CA1 (0.47) CA1CA2CA12MMP2CA9
SCHEMBL4753064 0.87 GAA (0.47) CA1CA2CA12MMP2CA9
SCHEMBL7264782 0.87 GAA (0.47) CA1CA2CA12MMP2CA9
SCHEMBL13636231 0.87 GAA (0.47) CA1CA2CA12MMP2CA9
SCHEMBL22506436 0.85 GAA (0.44) CA1CA2CA12MMP2CA9
SCHEMBL20470280 0.85 GAA (0.44) CA1CA2CA12MMP2CA9
SCHEMBL22535888 0.85 GAA (0.44) CA1CA2CA12MMP2CA9
SCHEMBL3500690 0.85 CA1 (0.42) CA1CA2CA12MMP2CA9

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-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed