SCHEMBL10536248

SCHEMBL10536248

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)CC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.66
▸ CTSS P25774 3/20 0.66
▸ AAK1 Q2M2I8 2/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ REN P00797 2/20 0.44
▸ CACNA1B Q00975 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ITGB3 P05106 4/20 0.40
▸ ITGA2B P08514 4/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSH P09668 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
SCHEMBL7326977 0.88 CTSK (0.61) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL3610662 0.88 CTSK (0.64) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL3610659 0.88 CTSK (0.64) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL16945 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL16946 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9742302 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL9556128 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427220 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL21427213 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1
SCHEMBL8283416 0.87 CTSK (0.70) CTSKCTSSAAK1HDAC4HDAC1

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
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