SCHEMBL31085224

SCHEMBL31085224

CC(=O)CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.48
▸ CTSS P25774 4/20 0.48
▸ HDAC4 P56524 4/20 0.46
▸ HDAC1 Q13547 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACE P12821 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL2075224 1.00 CTSK (0.48) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL27701414 1.00 CTSK (0.48) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL3624029 0.94 CTSK (0.50) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL3656517 0.94 CTSK (0.50) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL19668435 0.90 CTSK (0.49) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL4409723 0.90 CTSK (0.49) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL31072330 0.90 CTSK (0.49) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL6745774 0.89 CTSK (0.56) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL14150791 0.89 CTSK (0.56) CTSKCTSSHDAC4HDAC1ALDH1A1
SCHEMBL2074961 0.88 CTSK (0.50) CTSKCTSSHDAC4HDAC1ALDH1A1

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
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 — — CN disclosed
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