SCHEMBL31346580

SCHEMBL31346580

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 5/20 0.56
▸ CASP3 P42574 7/20 0.54
▸ CASP1 P29466 2/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ CASP9 P55211 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ CASP8 Q14790 1/20 0.54
▸ CTSB P07858 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ ELANE P08246 1/20 0.48

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
SCHEMBL28712274 1.00 REN (0.56) RENCASP3CASP1CASP7CASP9
SCHEMBL24310885 1.00 REN (0.56) RENCASP3CASP1CASP7CASP9
SCHEMBL15012737 1.00 REN (0.56) RENCASP3CASP1CASP7CASP9
SCHEMBL24310886 1.00 REN (0.56) RENCASP3CASP1CASP7CASP9
SCHEMBL23133185 0.97 REN (0.57) RENCASP3CASP1CASP7CASP9
SCHEMBL21481185 0.97 REN (0.57) RENCASP3CASP1CASP7CASP9
SCHEMBL21481182 0.97 REN (0.57) RENCASP3CASP1CASP7CASP9
SCHEMBL23133184 0.97 REN (0.57) RENCASP3CASP1CASP7CASP9
SCHEMBL20257211 0.95 REN (0.55) RENCASP3CASP1CASP7CASP9
SCHEMBL24213871 0.92 CASP3 (0.56) CASP3CASP1CASP7CASP9CASP6

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
EP-4652998-A1 TREATMENT OF RECEPTOR-INTERACTING PROTEIN KINASE 1- MEDIATED DISEASE WITH ECLITASERTIB Technische Universität München (DE) 2025-11-26 — — EP disclosed
CN-110573610-B Method for preparing retinal pigment epithelial cells 住友制药株式会社 2025-01-28 — — CN disclosed
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