SCHEMBL29050430

SCHEMBL29050430

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.48
GAA P10253 1/20 0.46
EPHX1 P07099 4/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.40
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
NPR3 P17342 1/20 0.35

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
SCHEMBL30231048 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL8282975 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL13622684 1.00 AAK1 (0.48) AAK1GAAEPHX1HDAC4HDAC1
SCHEMBL9108577 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL9108583 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL22139366 0.92 AAK1 (0.50) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL24103537 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL13576793 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL30231084 0.86 AAK1 (0.46) AAK1HDAC4HDAC1HDAC6CTSS
SCHEMBL844823 0.86 CTSS (0.47) AAK1GAAEPHX1HDAC4HDAC1

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
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed