SCHEMBL9544800

SCHEMBL9544800

CC(OCc1ccccc1)C(NC(=O)OC(C)(C)C)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTRA1 Q92743 1/20 0.45
CMA1 P23946 4/20 0.44
ACE P12821 3/20 0.42
CTSL P07711 1/20 0.41
PTPN1 P18031 4/20 0.41
CDC25B P30305 4/20 0.41
PTPN2 P17706 2/20 0.41
CDC25A P30304 2/20 0.41

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
SCHEMBL9544805 1.00 ELANE (0.49) ELANEMEN1KMT2AHTRA1CMA1
SCHEMBL9543947 0.88 KMT2A (0.45) ELANEMEN1KMT2AHTRA1CMA1
SCHEMBL9543950 0.88 KMT2A (0.45) ELANEMEN1KMT2AHTRA1CMA1
SCHEMBL9544886 0.83 ACE (0.51) MEN1KMT2ACMA1ACE
SCHEMBL9544879 0.83 ACE (0.51) MEN1KMT2ACMA1ACE
SCHEMBL9544075 0.82 CTSL (0.43) MEN1KMT2ACMA1ACECTSL
SCHEMBL9544080 0.82 CTSL (0.43) MEN1KMT2ACMA1ACECTSL
SCHEMBL9544811 0.81 ELANE (0.51) ELANEHTRA1CMA1ACE
SCHEMBL6745052 0.80 CMA1 (0.53) ELANEKMT2ACMA1
SCHEMBL9542772 0.79 CCKBR (0.51) MEN1KMT2A

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed