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SCHEMBL25977611

SCHEMBL25977611

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.65
▸ REN P00797 2/20 0.61
▸ CTSS P25774 3/20 0.60
▸ CTSL P07711 2/20 0.60
▸ CTSB P07858 2/20 0.58
▸ CAPN1 P07384 2/20 0.57

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
SCHEMBL16984912 1.00 CTSK (0.65) CTSKRENCTSSCTSLCTSB
SCHEMBL4576421 1.00 CTSK (0.65) CTSKRENCTSSCTSLCTSB
SCHEMBL9551248 0.96 REN (0.68) CTSKRENCTSSCTSLCTSB
SCHEMBL13519505 0.95 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL12873002 0.95 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL12214454 0.95 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL23616209 0.94 REN (0.66) CTSKRENCTSSCTSLCTSB
SCHEMBL20825305 0.94 REN (0.66) CTSKRENCTSSCTSLCTSB
SCHEMBL9551300 0.94 REN (0.66) CTSKRENCTSSCTSLCTSB
SCHEMBL15255353 0.94 REN (0.66) CTSKRENCTSSCTSLCTSB

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
WO-2023148764-A1 NOVEL CHOLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF AUTOIMMUNE DISEASES AND USES THEREOF TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2023-08-10 — — WO disclosed
WO-2023148764-A1 NOVEL CHOLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF AUTOIMMUNE DISEASES AND USES THEREOF TRANSLATIONAL HEALTH SCIENCE AND TECHNOLOGY INSTITUTE (IN) 2023-08-10 — — WO disclosed