SCHEMBL24915280

SCHEMBL24915280

CNC(=O)[C@H](Cc1ccc(OCC(=O)O)cc1)NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](C)Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 8/20 0.54
MMP3 P08254 2/20 0.49
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
MMP1 P03956 2/20 0.46
PTPN1 P18031 1/20 0.46
KLKB1 P03952 1/20 0.45
MAOB P27338 1/20 0.44
MMP2 P08253 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL24899346 0.91 MMP3 (0.56) MMP3MMP9MMP8MMP1PTPN1
SCHEMBL27277512 0.87 MMP3 (0.53) MMP3MMP9MMP8MMP1PTPN1
SCHEMBL24899384 0.86 MMP3 (0.52) MMP3MMP9MMP8MMP1PTPN1
SCHEMBL26875855 0.82 PTPN1 (0.53) GPR34PTPN1KLKB1PPARG
SCHEMBL26173250 0.82 PTPN1 (0.58) GPR34MMP3PTPN1KLKB1PPARG
SCHEMBL26892213 0.81 MME (0.50) GPR34MMP3PTPN1KLKB1PPARG
SCHEMBL26172463 0.81 MME (0.50) GPR34MMP3PTPN1KLKB1PPARG
SCHEMBL26888062 0.80 PTPN1 (0.55) GPR34MMP3MMP1PTPN1KLKB1
SCHEMBL26889155 0.79 PTPN1 (0.57) GPR34PTPN1KLKB1PPARG
SCHEMBL26173212 0.79 PTPN1 (0.57) GPR34PTPN1KLKB1PPARG

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-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed