SCHEMBL30306992

SCHEMBL30306992

O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ MDM4 O15151 3/20 0.48
▸ TP53 P04637 3/20 0.48
▸ MDM2 Q00987 1/20 0.46
▸ CASP3 P42574 2/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ SLC17A5 Q9NRA2 1/20 0.43

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
SCHEMBL29373319 0.98 KMT2A (0.51) KMT2AMDM4TP53MDM2CASP3
SCHEMBL31488855 0.90 KMT2A (0.50) KMT2AMDM4TP53MDM2CASP3
SCHEMBL31462350 0.90 KMT2A (0.50) KMT2AMDM4TP53MDM2CASP3
SCHEMBL31488784 0.90 KMT2A (0.50) KMT2AMDM4TP53MDM2CASP3
SCHEMBL17178126 0.88 KMT2A (0.48) KMT2AMDM4TP53MDM2CASP3
SCHEMBL30288545 0.88 KMT2A (0.48) KMT2AMDM4TP53MDM2CASP3
SCHEMBL30781784 0.88 KMT2A (0.48) KMT2AMDM4TP53MDM2CASP3
SCHEMBL17003669 0.88 KMT2A (0.48) KMT2AMDM4TP53MDM2CASP3
SCHEMBL17020433 0.88 KMT2A (0.48) KMT2AMDM4TP53CASP3EPHX2
SCHEMBL2367647 0.88 KMT2A (0.52) KMT2AMDM4TP53MDM2CASP3

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-115746100-A Preparation method of terlipressin 辽宁味邦生物制药有限公司 2023-03-07 — — CN disclosed
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