SCHEMBL9301989

SCHEMBL9301989

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nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.48
CTSS P25774 10/20 0.48
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CACNA1B Q00975 2/20 0.41

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
SCHEMBL5702493 1.00 CTSK (0.48) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1235161 0.91 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL4279525 0.91 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1235160 0.91 CTSK (0.49) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL2860662 0.90 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13640176 0.90 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1277727 0.90 ITGB3 (0.50) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL29828361 0.89 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30385524 0.88 CYP1A2 (0.47) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL30589487 0.88 ITGB3 (0.49) CTSKCTSSCTSLCTSBCYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085531-A Antibacterial injectable hydrogel 南方医科大学南方医院 2024-05-28 CN claimed
CN-118021716-A PH sensitive antibacterial hydrogel for injection 南方医科大学珠江医院 2024-05-14 CN claimed
CN-118085531-A Antibacterial injectable hydrogel 南方医科大学南方医院 2024-05-28 CN disclosed
CN-118021716-A PH sensitive antibacterial hydrogel for injection 南方医科大学珠江医院 2024-05-14 CN disclosed
CN-1032212-C N-protected alpha-L-aspartyl-L-methyl phenylalaninate MITSUI TOATSU CHEMICALS (JP) 1996-07-03 CN disclosed
EP-0334236-B1 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS (JP) 1994-08-31 EP disclosed
US-5302743-A Reacting N-protected L-aspartic anhydride with L-phenylalanine methyl ester salt in non-aqueous solvent MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-12 US disclosed
CN-1036581-A N-is protected the preparation method of 2-L-aspartyl-L-phenylalanine methyl esters MITSUI TOATSU CHEMICALS (JP) 1989-10-25 CN disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed