SCHEMBL5320288

SCHEMBL5320288

CC(C)(C)OC(=O)N[C@](Cc1ccccc1)(C(=O)O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ACE P12821 2/20 0.42
CTSL P07711 2/20 0.41
KLK5 Q9Y337 1/20 0.41
AKT1 P31749 3/20 0.40
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
CACNA1B Q00975 1/20 0.39
ATM Q13315 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL16469900 0.83 EPHX1 (0.43) KMT2AL3MBTL1CTSSCTSKCACNA1B
SCHEMBL4848668 0.82 EPHX1 (0.40) KMT2AL3MBTL1ACECTSSCTSK
SCHEMBL4848663 0.82 EPHX1 (0.40) KMT2AL3MBTL1ACECTSSCTSK
SCHEMBL16470240 0.79 EPHX1 (0.42) KMT2AL3MBTL1ACEAKT1CTSS
SCHEMBL2485598 0.78 MAPT (0.47) KMT2AL3MBTL1ACEKLK5
Hydrochloric Acid SCHEMBL4182358 0.78 KMT2A (0.46) KMT2AL3MBTL1CA12CA1CA7
Hydrochloric Acid SCHEMBL4182350 0.78 KMT2A (0.46) KMT2AL3MBTL1CA12CA1CA7
SCHEMBL1147463 0.77 CTSS (0.41) KMT2AL3MBTL1ACECTSSCTSK
SCHEMBL490642 0.77 CTSS (0.41) KMT2AL3MBTL1ACECTSSCTSK
SCHEMBL490571 0.77 AKT1 (0.41) KMT2AL3MBTL1ACECTSLAKT1

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed