SCHEMBL29655561

SCHEMBL29655561

CC(C)C[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALB P02768 11/20 0.68
IL2 P60568 11/20 0.68
TNF P01375 1/20 0.62

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
SCHEMBL24448418 1.00 ALB (0.68) ALBIL2TNF
SCHEMBL24446999 0.87 ALB (0.56) ALBIL2TNF
SCHEMBL30174831 0.84 MEN1 (0.67) ALBIL2
SCHEMBL29393963 0.84 MEN1 (0.67) ALBIL2
SCHEMBL25518572 0.84 MEN1 (0.67) ALBIL2
SCHEMBL23824277 0.84 MEN1 (0.67) ALBIL2
SCHEMBL23824273 0.84 MEN1 (0.67) ALBIL2
SCHEMBL26230797 0.84 ALB (0.55) ALBIL2TNF
SCHEMBL24447016 0.83 ALB (0.53) ALBIL2TNF
SCHEMBL24019693 0.82 ALB (0.60) ALBIL2TNF

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-114524821-A Novel spiropyrrolidine derived antiviral drugs 英安塔制药有限公司 2022-05-24 CN disclosed