SCHEMBL9544383

SCHEMBL9544383

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CMA1 P23946 10/20 0.45
KMT2A Q03164 1/20 0.44
ELANE P08246 1/20 0.44
CAPN1 P07384 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL9544378 1.00 FNTA (0.46) FNTAFNTBHDAC8CMA1KMT2A
SCHEMBL9544919 0.91 HDAC3 (0.48) HDAC8KMT2ACTSK
SCHEMBL9545046 0.91 FNTA (0.41) FNTAFNTBHDAC8CMA1KMT2A
SCHEMBL9545049 0.91 FNTA (0.41) FNTAFNTBHDAC8CMA1KMT2A
SCHEMBL9544910 0.91 HDAC3 (0.48) HDAC8KMT2ACTSK
SCHEMBL9544288 0.90 CXCR3 (0.41) FNTAFNTBHDAC8CMA1
SCHEMBL9543837 0.88 ELANE (0.47) ELANE
SCHEMBL9544283 0.88 KMT2A (0.43) CMA1KMT2ACAPN1CTSL
SCHEMBL9545331 0.88 APP (0.40) FNTAFNTBHDAC8
SCHEMBL9545327 0.88 CXCR3 (0.41) FNTAFNTBHDAC8CMA1

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