SCHEMBL24633802

SCHEMBL24633802

CC(C)CC(C)(NC(=O)C(C)(F)F)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.47
CXCR2 P25025 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.35
MMP8 P22894 1/20 0.34
CTSS P25774 1/20 0.34
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL8741924 0.89 FPR2 (0.47) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL9147437 0.89 FPR2 (0.47) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL24633935 0.82 TSHR (0.40) FPR2NAALAD2SMN1; SMN2
SCHEMBL8995757 0.79 FPR2 (0.50) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL8995750 0.79 FPR2 (0.50) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL8995753 0.79 FPR2 (0.50) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL10575333 0.77 FPR2 (0.49) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL10575336 0.77 FPR2 (0.49) FPR2CXCR2NAALAD2MMP8CTSS
SCHEMBL24633806 0.76 NAALAD2 (0.44) NAALAD2GAA
SCHEMBL24633811 0.74 NAALAD2 (0.35) NAALAD2

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
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed