SCHEMBL30343682

SCHEMBL30343682

CC(C)(C)OC(=O)Cn1cc(CC(NC(=O)OCc2ccccc2)C(=O)O)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.45
▸ ITGA2B P08514 7/20 0.45
▸ SYK P43405 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ACE P12821 2/20 0.43
▸ NMBR P28336 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ CTSK P43235 3/20 0.41
▸ CTSL P07711 2/20 0.41
▸ CTSB P07858 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7439119 1.00 ITGB3 (0.45) ITGB3ITGA2BSYKPPARAACE
SCHEMBL17596477 1.00 ITGB3 (0.45) ITGB3ITGA2BSYKPPARAACE
SCHEMBL25240561 0.94 TACR1 (0.47) SYKNMBRCTSKCTSLCTSB
SCHEMBL19340443 0.94 TACR1 (0.47) SYKNMBRCTSKCTSLCTSB
SCHEMBL30002314 0.94 TACR1 (0.47) SYKNMBRCTSKCTSLCTSB
SCHEMBL16100108 0.90 CTSS (0.48) PPARAACECTSKCTSLCTSS
SCHEMBL31407630 0.90 CTSS (0.48) PPARAACECTSKCTSLCTSS
SCHEMBL16100109 0.90 CTSS (0.48) PPARAACECTSKCTSLCTSS
SCHEMBL19410161 0.89 PLA2G2A (0.47) ITGB3ITGA2BPPARAACE
SCHEMBL19410159 0.89 PLA2G2A (0.47) ITGB3ITGA2BPPARAACE

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
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 — — EP disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 — — WO disclosed
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