SCHEMBL24899384

SCHEMBL24899384

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.52
MMP9 P14780 3/20 0.49
MMP8 P22894 2/20 0.49
KLKB1 P03952 1/20 0.48
MMP2 P08253 2/20 0.48
MMP1 P03956 6/20 0.47
PTPN1 P18031 1/20 0.47
SRD5A2 P31213 1/20 0.45
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CENPE Q02224 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 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
SCHEMBL24899346 0.95 MMP3 (0.56) MMP3MMP9MMP8KLKB1MMP2
SCHEMBL27277512 0.91 MMP3 (0.53) MMP3MMP9MMP8MMP2MMP1
SCHEMBL26172463 0.87 MME (0.50) MMP3KLKB1PTPN1MMEACE
SCHEMBL26892213 0.87 MME (0.50) MMP3KLKB1PTPN1MMEACE
SCHEMBL24915280 0.86 GPR34 (0.54) MMP3MMP9MMP8KLKB1MMP2
SCHEMBL26173250 0.86 PTPN1 (0.58) MMP3KLKB1PTPN1MMEACE
SCHEMBL26888062 0.83 PTPN1 (0.55) MMP3KLKB1MMP1PTPN1MME
SCHEMBL26173212 0.82 PTPN1 (0.57) KLKB1PTPN1MMEACECPA1
SCHEMBL26889155 0.82 PTPN1 (0.57) KLKB1PTPN1MMEACECPA1
SCHEMBL24915270 0.81 PTPN1 (0.48) MMP3MMP9MMP2MMP1PTPN1

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-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed