SCHEMBL24633869

SCHEMBL24633869

CSC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.43
FABP7 O15540 2/20 0.43
KMT2A Q03164 2/20 0.41
CASP3 P42574 2/20 0.40
EPHX2 P34913 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
PTGIR P43119 1/20 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
SCHEMBL30686148 1.00 FABP5 (0.43) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29277314 1.00 FABP5 (0.43) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL30792912 1.00 FABP5 (0.43) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL16310687 0.92 FABP5 (0.40) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL16578262 0.91 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL120598 0.90 FABP5 (0.40) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29399007 0.90 FABP5 (0.40) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL27413498 0.88 KMT2A (0.39) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL15083523 0.88 FABP5 (0.44) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL21837499 0.88 FABP5 (0.44) FABP5FABP7KMT2ACASP3EPHX2

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
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP 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
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