SCHEMBL28291921

SCHEMBL28291921

COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.75
CTSK P43235 10/20 0.67
CTSL P07711 7/20 0.65
HTRA1 Q92743 1/20 0.64
REN P00797 1/20 0.63
CTSB P07858 3/20 0.63
CTSS P25774 4/20 0.63

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
SCHEMBL28291922 1.00 CAPN1 (0.75) CAPN1CTSKCTSLHTRA1REN
SCHEMBL27983359 0.96 CAPN1 (0.70) CAPN1CTSKCTSLHTRA1REN
SCHEMBL20825246 0.95 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL7326037 0.95 CAPN1 (0.78) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL26292318 0.94 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL7163409 0.94 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL4575868 0.94 CTSK (0.75) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL28602197 0.94 CTSK (0.72) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL21219280 0.92 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB
SCHEMBL21219351 0.92 CAPN1 (0.74) CAPN1CTSKCTSLHTRA1CTSB

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-109563133-A POLYAMIDE COMPOUND AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-04-02 CN disclosed