SCHEMBL22915375

SCHEMBL22915375

CC(C)(C)NCC(=O)NC(Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.70
CTSS P25774 5/20 0.45
CTSL P07711 5/20 0.45
CTSB P07858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MMP2 P08253 1/20 0.42
CTSK P43235 3/20 0.42
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
TACR2 P21452 2/20 0.40

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
SCHEMBL22915402 1.00 AKT1 (0.70) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL22987290 0.89 AKT1 (0.69) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL22915441 0.86 AKT1 (0.83) AKT1CTSSCTSLCTSBCTSK
SCHEMBL28767105 0.86 AKT1 (0.83) AKT1CTSSCTSLCTSBCTSK
SCHEMBL22915374 0.85 AKT1 (0.71) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL22915399 0.85 AKT1 (0.71) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL22915395 0.84 AKT1 (0.67) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL28767100 0.83 AKT1 (0.69) AKT1CTSSCTSLCTSBL3MBTL1
SCHEMBL22915477 0.82 AKT1 (1.00) AKT1CTSSCTSLCTSBCTSK
Trifluoroacetic Acid SCHEMBL22973518 0.81 AKT1 (0.67) AKT1CTSSCTSLCTSBL3MBTL1

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
US-11472892-B2 Reactive alginic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-10-18 US disclosed
US-20210024659-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-01-28 US disclosed