SCHEMBL30748713

SCHEMBL30748713

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.65
CTSB P07858 8/20 0.65
ELANE P08246 1/20 0.56
REN P00797 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.54
CASP3 P42574 1/20 0.53
CTSD P07339 1/20 0.53
CTSL P07711 2/20 0.51
CTSS P25774 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL13823620 0.94 CTSB (0.60) CTSKCTSBTRPM8CASP3CTSD
SCHEMBL3210676 0.94 CTSB (0.60) CTSKCTSBTRPM8CASP3CTSD
SCHEMBL9574224 0.88 ECE1 (0.62) CTSKCTSBELANECTSLCTSS
SCHEMBL9325847 0.88 ECE1 (0.62) CTSKCTSBELANECTSLCTSS
SCHEMBL10535596 0.88 TRPM8 (0.62) CTSKCTSBELANETRPM8CASP3
SCHEMBL10535601 0.88 TRPM8 (0.62) CTSKCTSBELANETRPM8CASP3
SCHEMBL28892051 0.88 TRPM8 (0.62) CTSKCTSBELANETRPM8CASP3
SCHEMBL5689424 0.87 CASP3 (0.58) CTSKCTSBELANETRPM8CASP3
SCHEMBL3209667 0.87 CTSB (0.63) CTSKCTSBRENCASP3CTSD
Hydrochloric Acid SCHEMBL7326272 0.86 CTSB (0.53) CTSKCTSBTRPM8CASP3CTSD

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
CN-117341057-B Preparation method of aerated concrete block for lacing wire construction 宁波腾纳物资有限公司 2024-05-03 CN disclosed
CN-117341057-A Preparation method of aerated concrete block for lacing wire construction 宁波腾纳物资有限公司 2024-01-05 CN disclosed