SCHEMBL30686160

SCHEMBL30686160

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CSSC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.38
FABP7 O15540 2/20 0.38
CASP3 P42574 3/20 0.38
MDM4 O15151 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC17A5 Q9NRA2 1/20 0.35
EPHX2 P34913 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
SCHEMBL16288773 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL30744237 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL20604252 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL16288775 1.00 FABP5 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL25179599 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL25179598 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL30802516 0.91 CASP3 (0.38) FABP5FABP7CASP3MDM4TP53
SCHEMBL16310687 0.88 FABP5 (0.40) FABP5FABP7CASP3MDM4TP53
SCHEMBL24633869 0.87 FABP5 (0.43) FABP5FABP7CASP3MDM4TP53
SCHEMBL30792912 0.87 FABP5 (0.43) FABP5FABP7CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 CN disclosed
CN-119731195-A Cyclic compounds having selective inhibition of KRAS over HRAS and NRAS 中外制药株式会社 2025-03-28 CN disclosed
CN-117279655-A Pharmaceutical use of cyclic peptide compounds 中外制药株式会社 2023-12-22 CN disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed