SCHEMBL24915422

SCHEMBL24915422

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.52
ACE P12821 8/20 0.52
CPA1 P15085 6/20 0.52
ACE2 Q9BYF1 6/20 0.52
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
MMP9 P14780 2/20 0.49
MMP2 P08253 1/20 0.49
MMP8 P22894 1/20 0.49
MMP1 P03956 1/20 0.47
MMP14 P50281 1/20 0.47
MMP3 P08254 1/20 0.47
ACACB O00763 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL26170340 0.88 MME (0.53) MMEACECPA1ACE2CYP3A4
SCHEMBL7509632 0.87 MME (0.56) MMEACECPA1ACE2CYP3A4
SCHEMBL26174647 0.79 MME (0.56) MMEACECPA1ACE2CYP3A4
SCHEMBL5967963 0.78 MMP1 (0.43) MMEACECPA1ACE2MMP9
SCHEMBL14407328 0.77 CYP3A4 (0.65) CYP3A4MAPK1MMP2MMP1MMP3
SCHEMBL15314129 0.77 CYP3A4 (0.65) CYP3A4MAPK1MMP2MMP1MMP3
SCHEMBL15314108 0.77 CYP3A4 (0.65) CYP3A4MAPK1MMP2MMP1MMP3
SCHEMBL5886609 0.75 MMP1 (0.48) MMP9MMP2MMP8MMP1MMP14
SCHEMBL13986869 0.75 MMP1 (0.48) MMP9MMP2MMP8MMP1MMP14
SCHEMBL24899346 0.75 MMP3 (0.56) MMEACECPA1ACE2MMP9

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
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed