SCHEMBL28803174

SCHEMBL28803174

COC[C@@H](OC(=O)NC(C)(C)C)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CFD P00746 4/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ PTGES O14684 2/20 0.37
▸ PSMB8 P28062 1/20 0.35
▸ PSMB5 P28074 1/20 0.35

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
SCHEMBL28803397 0.87 CFD (0.46) P2RX7ALDH1A1CFDPTGESPSMB5
SCHEMBL28803344 0.86 TSHR (0.41) P2RX7ALDH1A1CFDKLKB1PTGES
SCHEMBL28803147 0.86 SCN9A (0.48) P2RX7ALDH1A1CFDKLKB1PSMB5
SCHEMBL28803327 0.82 TSHR (0.41) P2RX7ALDH1A1CFD
SCHEMBL19236696 0.78 CTSS (0.48) CFD
SCHEMBL28803175 0.78 CTSS (0.48) CFD
SCHEMBL29781803 0.78 CTSS (0.48) CFD
SCHEMBL19208404 0.78 ALDH1A1 (0.45) P2RX7ALDH1A1CFDKLKB1PTGES
SCHEMBL19208405 0.78 ALDH1A1 (0.45) P2RX7ALDH1A1CFDKLKB1PTGES
SCHEMBL19208338 0.76 CA12 (0.49) P2RX7ALDH1A1CFDKLKB1PSMB8

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
CN-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
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