SCHEMBL22915399

SCHEMBL22915399

CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)NCCN1C(=O)C=CC1=O

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.71
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 4/20 0.41
CTSS P25774 5/20 0.41
CTSK P43235 3/20 0.41
CTSB P07858 2/20 0.41
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
MGLL Q99685 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BCHE P06276 1/20 0.40
POLB P06746 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
SCHEMBL22915374 1.00 AKT1 (0.71) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22987322 0.86 AKT1 (0.69) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915402 0.85 AKT1 (0.70) AKT1L3MBTL1CTSLCTSSCTSK
SCHEMBL22915375 0.85 AKT1 (0.70) AKT1L3MBTL1CTSLCTSSCTSK
SCHEMBL24765686 0.84 AKT1 (0.66) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915431 0.84 AKT1 (0.66) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL22915477 0.83 AKT1 (1.00) AKT1CTSLCTSSCTSKCTSB
SCHEMBL22987290 0.81 AKT1 (0.69) AKT1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL28767100 0.81 AKT1 (0.69) AKT1L3MBTL1CTSLCTSSCTSK
SCHEMBL22915395 0.80 AKT1 (0.67) AKT1L3MBTL1CTSLCTSSCTSB

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