SCHEMBL9543947

SCHEMBL9543947

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ELANE P08246 1/20 0.43
CTSL P07711 1/20 0.40
PTPN1 P18031 4/20 0.40
CDC25B P30305 4/20 0.40
PTPN2 P17706 2/20 0.40
CDC25A P30304 2/20 0.40
HTRA1 Q92743 1/20 0.40
ATM Q13315 1/20 0.40
CAPN1 P07384 1/20 0.39
CMA1 P23946 4/20 0.39
CCR1 P32246 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
SCHEMBL9543950 1.00 KMT2A (0.45) KMT2AMEN1ELANECTSLPTPN1
SCHEMBL9544800 0.88 ELANE (0.49) KMT2AMEN1ELANECTSLPTPN1
SCHEMBL9544805 0.88 ELANE (0.49) KMT2AMEN1ELANECTSLPTPN1
SCHEMBL9544283 0.84 KMT2A (0.43) KMT2AMEN1CTSLPTPN1CDC25B
SCHEMBL9544282 0.84 KMT2A (0.43) KMT2AMEN1CTSLPTPN1CDC25B
SCHEMBL9543958 0.83 ELANE (0.43) KMT2AELANECTSLHTRA1ATM
SCHEMBL9542455 0.80 CCKBR (0.49) KMT2AMEN1CCR1
SCHEMBL9542459 0.80 CCKBR (0.49) KMT2AMEN1CCR1
SCHEMBL9542866 0.79 CACNA1B (0.39) KMT2AMEN1CTSLPTPN1CDC25B
SCHEMBL9542864 0.79 CACNA1B (0.39) KMT2AMEN1CTSLPTPN1CDC25B

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