SCHEMBL10537814

SCHEMBL10537814

CC(C)(C)OC(=O)N[C@H](C(=O)CC(=O)O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
EPHX1 P07099 2/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AAK1 Q2M2I8 3/20 0.43
GAA P10253 1/20 0.43
BTK Q06187 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
REN P00797 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 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
SCHEMBL10072209 0.87 EPHX1 (0.46) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL25173999 0.86 AAK1 (0.46) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL28976580 0.86 EPHX1 (0.45) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL23990455 0.86 EPHX1 (0.45) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL23989724 0.86 EPHX1 (0.48) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL25428425 0.86 EPHX1 (0.48) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL25173998 0.86 AAK1 (0.46) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL22285129 0.85 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL22125910 0.85 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1
SCHEMBL22285128 0.85 CTSS (0.47) CTSSCTSKEPHX1HDAC4HDAC1

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
US-4816598-A 4-Amino-butanoic acid derivatives SANOFI (FR) 1989-03-28 US disclosed