SCHEMBL28645697

SCHEMBL28645697

CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.57
CASP1 P29466 9/20 0.53
CTSL P07711 1/20 0.53
TPSAB1 Q15661 2/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMB5 P28074 1/20 0.50
LGMN Q99538 1/20 0.50

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
SCHEMBL17841948 0.99 CTSK (0.56) CTSKCASP1CTSLPSMB8PSMB9
SCHEMBL14433707 0.90 MME (0.59) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL7155003 0.90 MME (0.59) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL4430771 0.90 MME (0.59) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL29453232 0.89 MME (0.58) CTSKCASP1PSMB8PSMB9PSMB5
SCHEMBL8553630 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL6159279 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL10868042 0.87 CAPN1 (0.58) CTSKCASP1
SCHEMBL19067195 0.86 CASP1 (0.57) CTSKCASP1
SCHEMBL11697381 0.85 CASP1 (0.56) CTSKCASP1CTSL

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-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 CN disclosed