SCHEMBL26169592

SCHEMBL26169592

CC(=O)[C@@H](NC(=O)[C@@H](C)CC1CCCCC1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.45
▸ REN P00797 2/20 0.41
▸ CTSK P43235 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CPB2 Q96IY4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSH P09668 1/20 0.36

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
SCHEMBL26168283 0.88 CNR1 (0.43) LTA4HRENCTSKALDH1A1CPB2
SCHEMBL27272775 0.79 LTA4H (0.39) LTA4HRENCTSKCPB2CTSL
SCHEMBL11964530 0.79 EPHX1 (0.53) LTA4HRENCTSKALDH1A1CPB2
SCHEMBL13879136 0.79 CTSK (0.42) LTA4HRENCTSKCTSLCTSB
SCHEMBL13954308 0.79 CTSK (0.42) LTA4HRENCTSKCTSLCTSB
SCHEMBL13235676 0.79 CTSK (0.42) LTA4HRENCTSKCTSLCTSB
SCHEMBL13971373 0.79 CTSK (0.42) LTA4HRENCTSKCTSLCTSB
SCHEMBL14321938 0.78 LTA4H (0.43) LTA4HRENCTSKCTSLCTSB
SCHEMBL26879069 0.77 CPB2 (0.47) RENCPB2PSMB5
SCHEMBL13155423 0.77 LTA4H (0.47) LTA4HCTSKALDH1A1KMT2ACTSL

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 3 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-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 — — WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 — — WO disclosed
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