SCHEMBL24633696

SCHEMBL24633696

O=C(N[C@@H](CC(F)F)C(=O)O)OCC1C2=C(CCC=C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.46
TP53 P04637 3/20 0.46
MDM2 Q00987 7/20 0.44
CASP3 P42574 2/20 0.39
SLC17A5 Q9NRA2 1/20 0.38
TLR2 O60603 2/20 0.37

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
SCHEMBL24633706 0.83 MDM4 (0.43) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL21978443 0.83 MDM4 (0.58) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL30191325 0.83 MDM4 (0.58) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL21978446 0.83 MDM4 (0.58) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL18614310 0.83 MDM4 (0.58) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31326463 0.83 MDM4 (0.58) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL27413465 0.83 MDM2 (0.49) MDM4TP53MDM2
SCHEMBL10076575 0.83 CASP3 (0.41) MDM4TP53CASP3
SCHEMBL21895802 0.82 TLR2 (0.45) MDM4TP53MDM2CASP3TLR2
SCHEMBL178799 0.82 KMT2A (0.52) MDM4TP53MDM2TLR2

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