SCHEMBL29850382

SCHEMBL29850382

NC(=O)NCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
MDM2 Q00987 6/20 0.54
MDM4 O15151 1/20 0.52
TP53 P04637 1/20 0.52
TLR2 O60603 2/20 0.52
C3AR1 Q16581 1/20 0.52

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
SCHEMBL31647336 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29569815 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL119468 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29362229 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL13401519 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL25356641 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29401148 1.00 KMT2A (0.55) KMT2AMDM2MDM4TP53TLR2
SCHEMBL4600663 0.97 KMT2A (0.56) KMT2AMDM2MDM4TP53TLR2
SCHEMBL4882849 0.97 KMT2A (0.56) KMT2AMDM2MDM4TP53TLR2
SCHEMBL29401108 0.97 KMT2A (0.56) KMT2AMDM2MDM4TP53TLR2

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
CN-114920804-A Sitrorelix synthesis process capable of being directly used for pilot amplification 厦门胜泽泰医药科技有限公司 2022-08-19 CN disclosed