SCHEMBL28773085

SCHEMBL28773085

O=C(O)CC(NC(=O)OCc1ccccc1)c1cccc(I)c1F

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.46
CTRB1 P17538 2/20 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
SCHEMBL28773055 0.81 CASP1 (0.45) CASP1CTRB1
SCHEMBL8889725 0.80 CASP1 (0.51) CASP1CTRB1
SCHEMBL6958939 0.79 CTSA (0.54) CASP1
SCHEMBL5605065 0.79 CASP1 (0.50) CASP1CTRB1
SCHEMBL28773065 0.78 CASP3 (0.51) CASP1CTRB1
SCHEMBL6955527 0.77 CASP1 (0.60) CASP1CTRB1
SCHEMBL6156731 0.77 CASP1 (0.60) CASP1CTRB1
SCHEMBL6156740 0.77 CASP1 (0.60) CASP1CTRB1
SCHEMBL15654961 0.77 CASP1 (0.51) CASP1CTRB1
SCHEMBL28773210 0.76 CASP1 (0.46) CASP1

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-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 CN disclosed