SCHEMBL24633952

SCHEMBL24633952

CCCO[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.41
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL30686149 1.00 AGTR2 (0.41) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL30792901 1.00 AGTR2 (0.41) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL30064422 1.00 AGTR2 (0.41) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL29540218 0.91 AGTR2 (0.42) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL30861832 0.91 AGTR2 (0.42) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL15083500 0.91 AGTR2 (0.42) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL27222159 0.91 AGTR2 (0.42) AGTR2FABP5FABP7KMT2AEPHX2
SCHEMBL31000495 0.89 KMT2A (0.41) AGTR2FABP5FABP7KMT2AEPHX2
Hydrochloric Acid SCHEMBL31000612 0.88 AGTR2 (0.39) AGTR2FABP5FABP7
SCHEMBL3471408 0.87 FABP5 (0.45) AGTR2FABP5FABP7KMT2AEPHX2

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