SCHEMBL31419788

SCHEMBL31419788

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)CF

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 8/20 0.46
▸ CTSS P25774 7/20 0.46
▸ CTSK P43235 7/20 0.46
▸ CASP7 P55210 1/20 0.44
▸ CASP9 P55211 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ CASP8 Q14790 1/20 0.44
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ACE P12821 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
SCHEMBL20250617 0.86 CYP2D6 (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL17494190 0.86 CYP2D6 (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL7274680 0.86 CASP3 (0.42) CASP3CTSSCTSKCASP7CASP9
SCHEMBL1883960 0.84 CTSK (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL26302403 0.84 CTSS (0.46) CTSSCTSKCTSLCTSBCA1
SCHEMBL688341 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL1486220 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL3323682 0.83 CTSS (0.50) CTSSCTSKCTSLCTSBCA1
SCHEMBL8354998 0.83 CYP1A2 (0.45) CTSSCTSKCTSLCTSBCA1
SCHEMBL4279525 0.81 CTSK (0.49) CTSSCTSKCTSLCTSBCA1

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-119522896-A Cell stabilizer and application thereof 广州市雷德生物科技有限公司 2025-02-28 — — CN claimed
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