SCHEMBL31407630

SCHEMBL31407630

CC(C)(C)OC(=O)Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.48
▸ CTSK P43235 5/20 0.48
▸ ACE P12821 2/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ CTSL P07711 3/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ PPARA Q07869 4/20 0.43
▸ PPARG P37231 3/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL16100109 1.00 CTSS (0.48) CTSSCTSKACESCN9APTPN1
SCHEMBL16100108 1.00 CTSS (0.48) CTSSCTSKACESCN9APTPN1
SCHEMBL16100877 0.91 TACR1 (0.46) CTSSCTSKCTSLHDAC10HDAC6
SCHEMBL16100876 0.91 TACR1 (0.46) CTSSCTSKCTSLHDAC10HDAC6
SCHEMBL30343682 0.90 ITGB3 (0.45) CTSSCTSKACECTSLPPARA
SCHEMBL17596477 0.90 ITGB3 (0.45) CTSSCTSKACECTSLPPARA
SCHEMBL7439119 0.90 ITGB3 (0.45) CTSSCTSKACECTSLPPARA
SCHEMBL2835961 0.89 CTSS (0.50) CTSSCTSKACESCN9APTPN1
SCHEMBL2835963 0.89 CTSS (0.50) CTSSCTSKACESCN9APTPN1
SCHEMBL31725712 0.89 CTSS (0.50) CTSSCTSKACESCN9APTPN1

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
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 — — EP disclosed
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