SCHEMBL30972259

SCHEMBL30972259

C=CCOC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCOC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ TLR2 O60603 3/20 0.47
▸ CASP3 P42574 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MDM2 Q00987 2/20 0.40
▸ TPSAB1 Q15661 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ CASP1 P29466 1/20 0.39

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
SCHEMBL14123951 0.88 KMT2A (0.53) KMT2ATLR2CASP3ALDH1A1MDM2
SCHEMBL16093051 0.87 KMT2A (0.50) KMT2ATLR2CASP3ALDH1A1MDM2
SCHEMBL10078346 0.87 KMT2A (0.50) KMT2ATLR2CASP3ALDH1A1MDM2
SCHEMBL29400961 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL21462054 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL25358347 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL29958970 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL178771 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL29391986 0.87 KMT2A (0.57) KMT2ATLR2MDM2
SCHEMBL29401249 0.87 KMT2A (0.57) KMT2ATLR2MDM2

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-2024149093-A1 GLUCOCORTICOID RECEPTOR AGONIST AND CONJUGATE THEREOF 四川科伦博泰生物医药股份有限公司 2024-07-18 — — WO disclosed
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