SCHEMBL22987323

SCHEMBL22987323

CNCC(=S)NC(Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.44
CTSS P25774 5/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 5/20 0.41
CTSB P07858 3/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
TACR2 P21452 3/20 0.40
MMP2 P08253 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL22987290 0.89 AKT1 (0.69) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22987322 0.85 AKT1 (0.69) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915395 0.81 AKT1 (0.67) AKT1L3MBTL1CTSSCTSLCTSB
SCHEMBL22915402 0.81 AKT1 (0.70) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915375 0.81 AKT1 (0.70) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL24765686 0.81 AKT1 (0.66) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915431 0.81 AKT1 (0.66) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915399 0.80 AKT1 (0.71) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915374 0.80 AKT1 (0.71) AKT1L3MBTL1CTSSCTSKCTSL
SCHEMBL22915477 0.80 AKT1 (1.00) AKT1CTSSCTSKCTSLCTSB

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
EP-3778653-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2021-02-17 EP disclosed