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SCHEMBL26875855

SCHEMBL26875855

Cc1cccc(C[C@H](C)C(=O)N[C@@H](Cc2ccc(OCC(=O)O)cc2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.53
▸ KLKB1 P03952 4/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ GPR34 Q9UPC5 5/20 0.44
▸ CTSL P07711 2/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CTSB P07858 1/20 0.43
▸ HPGDS O60760 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
SCHEMBL26173250 0.92 PTPN1 (0.58) PTPN1KLKB1PPARGGPR34
SCHEMBL26888062 0.90 PTPN1 (0.55) PTPN1KLKB1PPARGGPR34
SCHEMBL26173212 0.88 PTPN1 (0.57) PTPN1KLKB1PPARGGPR34
SCHEMBL26889155 0.88 PTPN1 (0.57) PTPN1KLKB1PPARGGPR34
SCHEMBL24899346 0.83 MMP3 (0.56) PTPN1KLKB1PPARG
SCHEMBL26889000 0.83 PTPN1 (0.57) PTPN1KLKB1PPARGGPR34CTSS
SCHEMBL26892213 0.83 MME (0.50) PTPN1KLKB1PPARGGPR34
SCHEMBL26172463 0.83 MME (0.50) PTPN1KLKB1PPARGGPR34
SCHEMBL24915280 0.82 GPR34 (0.54) PTPN1KLKB1PPARGGPR34
SCHEMBL27277512 0.79 MMP3 (0.53) PTPN1PPARG

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