SCHEMBL24633693

SCHEMBL24633693

C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.40
CASP3 P42574 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
AGTR2 P50052 1/20 0.36

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
SCHEMBL30686129 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL24633596 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL30686140 1.00 FABP5 (0.47) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL21287095 0.86 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL30062797 0.84 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL1827945 0.84 FABP5 (0.52) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL8430197 0.84 FABP5 (0.46) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL7202660 0.84 FABP5 (0.52) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL7202664 0.84 FABP5 (0.52) FABP5FABP7KMT2AEPHX2CASP3
SCHEMBL9131023 0.83 FABP5 (0.44) FABP5FABP7KMT2AEPHX2CASP3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
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