SCHEMBL9983607

SCHEMBL9983607

CC(C)(C)OC(=O)NC1(C(=O)O)CCOCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.42
KLK5 Q9Y337 6/20 0.42
PPARA Q07869 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CTSL P07711 1/20 0.36
AKT1 P31749 2/20 0.35
BCHE P06276 1/20 0.35
CTSS P25774 1/20 0.35

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
SCHEMBL9983610 1.00 KLK7 (0.42) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL12024363 0.93 KLK7 (0.41) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL12024362 0.93 KLK7 (0.41) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL9984909 0.89 KLK7 (0.43) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL16510409 0.89 KLK7 (0.43) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL1976602 0.86 PPARA (0.42) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL13053335 0.86 PPARA (0.42) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL12023829 0.84 KLK7 (0.42) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL16510414 0.84 KLK7 (0.42) KLK7KLK5PPARAKMT2AL3MBTL1
SCHEMBL1219509 0.84 KMT2A (0.43) KLK7KLK5PPARAKMT2AL3MBTL1

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
EP-2392568-A1 Heterocyclic amino acids for prostate cancer imaging Bayer Pharma Aktiengesellschaft (DE) 2011-12-07 EP disclosed