SCHEMBL31326056

SCHEMBL31326056

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.51
▸ CTSB P07858 4/20 0.51
▸ PSMB5 P28074 1/20 0.49
▸ REN P00797 5/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ MME P08473 1/20 0.49
▸ CASP3 P42574 2/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP9 P55211 1/20 0.46
▸ SYK P43405 1/20 0.46

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
SCHEMBL31326055 1.00 CTSK (0.51) CTSKCTSBPSMB5RENECE1
SCHEMBL9215248 0.94 CTSK (0.53) CTSKCTSBPSMB5RENCASP3
SCHEMBL7886933 0.94 CTSK (0.53) CTSKCTSBPSMB5RENECE1
SCHEMBL19944560 0.90 ECE1 (0.50) CTSKCTSBPSMB5RENECE1
SCHEMBL18342569 0.90 CTSK (0.55) CTSKCTSBPSMB5RENECE1
SCHEMBL20263594 0.90 CTSK (0.55) CTSKCTSBPSMB5RENECE1
SCHEMBL19015971 0.90 CASP3 (0.54) CTSKCTSBPSMB5ECE1MME
SCHEMBL20740990 0.90 CASP3 (0.54) CTSKCTSBPSMB5ECE1MME
SCHEMBL7888291 0.90 CASP3 (0.54) CTSKCTSBPSMB5ECE1MME
SCHEMBL7303642 0.88 CTSK (0.56) CTSKCTSBPSMB5RENCASP3

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
WO-2025015659-A1 METHOD FOR SYNTHESIZING AMIDE AND/OR POLYPEPTIDE BY TAKING TRANSIENTLY PROTECTED AMINO ACID AS AMMONIA COMPONENT 广州医科大学 2025-01-23 — — WO disclosed
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