SCHEMBL29267383

SCHEMBL29267383

CCCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CC(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.41
▸ FABP5 Q01469 3/20 0.40
▸ FABP7 O15540 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TLR2 O60603 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
SCHEMBL29277356 1.00 PTGIR (0.41) PTGIRFABP5FABP7KMT2ACASP3
SCHEMBL29267380 1.00 PTGIR (0.41) PTGIRFABP5FABP7KMT2ACASP3
SCHEMBL30792910 1.00 PTGIR (0.41) PTGIRFABP5FABP7KMT2ACASP3
SCHEMBL29854970 0.91 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL29267375 0.91 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL25178628 0.91 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL25182302 0.91 FABP5 (0.41) FABP5FABP7KMT2ACASP3EPHX2
SCHEMBL30792872 0.89 PTGIR (0.42) PTGIRFABP5FABP7KMT2ACASP3
SCHEMBL31681823 0.88 PTGIR (0.41) PTGIRFABP5FABP7KMT2ACASP3
SCHEMBL31688526 0.88 PTGIR (0.41) PTGIRFABP5FABP7KMT2ACASP3

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
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
CN-114195684-B Synthesis method of amino protecting group N-substituted chiral amino acid 马鞍山诺恩特医药科技有限公司 2023-10-20 — — CN disclosed
CN-114195684-A Synthesis method of amino protecting group N-substituted chiral amino acid 马鞍山诺恩特医药科技有限公司 2022-03-18 — — CN disclosed
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