SCHEMBL24301263

SCHEMBL24301263

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)C=N)C(=O)N[C@@H](CC(=O)O)C(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 4/20 0.50
▸ MMP8 P22894 4/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP1 P03956 3/20 0.50
▸ EDNRA P25101 1/20 0.49
▸ TACR1 P25103 2/20 0.49
▸ TACR3 P29371 1/20 0.49
▸ CASP1 P29466 2/20 0.48
▸ CASP3 P42574 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ NMBR P28336 1/20 0.47
▸ CASP4 P49662 1/20 0.47
▸ CASP5 P51878 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ CASP10 Q92851 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ IL1RN P18510 2/20 0.47

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
SCHEMBL24301259 0.95 ERAP2 (0.51) MMP9MMP8MMP2MMP1EDNRA
SCHEMBL24301899 0.95 TACR1 (0.54) MMP9MMP8MMP2MMP1TACR1
SCHEMBL22355217 0.94 TACR1 (0.52) MMP9MMP8MMP2MMP1TACR1
SCHEMBL22354581 0.94 TACR1 (0.52) MMP9MMP8MMP2MMP1TACR1
SCHEMBL24301269 0.93 MAGI3 (0.48) MMP9MMP8MMP2MMP1TACR1
SCHEMBL24301525 0.93 TACR1 (0.52) TACR1TACR3SIRT5NMBRIL1RN
SCHEMBL24301900 0.93 TACR1 (0.49) MMP9MMP8MMP2MMP1TACR1
SCHEMBL24301905 0.92 ACE (0.50) MMP9MMP8MMP2TACR1TACR3
SCHEMBL24301420 0.92 ERAP2 (0.51) MMP9MMP8MMP2MMP1EDNRA
SCHEMBL24301264 0.92 TACR1 (0.49) MMP9MMP8MMP2MMP1TACR1

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
WO-2022078462-A1 NOVEL GLUTAMINE ANALOGS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-04-21 — — WO disclosed
Send feedback