SCHEMBL30483833

SCHEMBL30483833

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.52
▸ KEAP1 Q14145 1/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ EPHA2 P29317 1/20 0.49
▸ CALCRL Q16602 2/20 0.49
▸ C5AR1 P21730 1/20 0.49

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
SCHEMBL30483821 0.98 OPRD1 (0.54) OPRD1KEAP1C5AR1
SCHEMBL31078160 0.98 OPRD1 (0.54) OPRD1KEAP1C5AR1
SCHEMBL29695588 0.91 OPRD1 (0.54) OPRD1KEAP1EPHA2C5AR1
SCHEMBL29500565 0.91 OPRD1 (0.54) OPRD1KEAP1EPHA2C5AR1
SCHEMBL31267098 0.91 EPHA2 (0.53) OPRD1KDM1AEPHA2CALCRL
SCHEMBL29403705 0.90 IL23R (0.55) OPRD1KDM1AEPHA2C5AR1
SCHEMBL6889257 0.87 OPRD1 (0.54) OPRD1C5AR1
SCHEMBL6889227 0.87 OPRD1 (0.54) OPRD1C5AR1
SCHEMBL30974515 0.86 KDM1A (0.61) KDM1AEPHA2
SCHEMBL31267109 0.85 EPHA2 (0.54) KDM1AEPHA2CALCRLC5AR1

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
CN-116390764-A Crystalline polymorphic forms of STING agonist bound to metal ions capable of modulating immune responses 密歇根大学董事会 2023-07-04 — — CN disclosed
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