SCHEMBL22915528

SCHEMBL22915528

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.58
MMP2 P08253 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
MGLL Q99685 1/20 0.46
OPRL1 P41146 2/20 0.46
CTSC P53634 1/20 0.46
SLC15A1 P46059 1/20 0.46
CA2 P00918 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
ANPEP P15144 1/20 0.44
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44

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
SCHEMBL28767095 1.00 AKT1 (0.58) AKT1MMP2ALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL22973517 0.94 AKT1 (0.59) AKT1MMP2ALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL22973516 0.94 AKT1 (0.59) AKT1MMP2ALPIPKMPTGS1
SCHEMBL18167816 0.87 CA2 (0.57) AKT1MMP2ALPIPKMPTGS1
SCHEMBL16837052 0.87 CA2 (0.57) AKT1MMP2ALPIPKMPTGS1
SCHEMBL28467047 0.84 AKT1 (0.53) AKT1MMP2GSK3AGSK3BMGLL
SCHEMBL21010316 0.82 SLC15A1 (0.64) MMP2ALPIPKMPTGS1XIAP
SCHEMBL22987322 0.82 AKT1 (0.69) AKT1GSK3AGSK3BMGLLOPRM1
SCHEMBL28471258 0.81 AKT1 (0.56) AKT1GSK3AGSK3BMGLLOPRM1
SCHEMBL28471260 0.81 AKT1 (0.56) AKT1GSK3AGSK3BMGLLOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220396643-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 US disclosed
US-11472892-B2 Reactive alginic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-10-18 US disclosed
CN-114521199-A Novel cross-linked alginic acid structure 持田制药株式会社 2022-05-20 CN disclosed
WO-2021060336-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE 持田製薬株式会社 2021-04-01 WO disclosed
EP-3778653-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES Mochida Pharmaceutical Co., Ltd. (JP) 2021-02-17 EP disclosed
US-20210024659-A1 NOVEL REACTIVE ALGINIC ACID DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-01-28 US disclosed