SCHEMBL9542593

SCHEMBL9542593

COC(=O)CC[C@@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALOX5AP P20292 1/20 0.38
PKM P14618 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
SCHEMBL26103110 0.88 NOTUM (0.45) NOTUMALDH1A1MAPTTSHRL3MBTL1
SCHEMBL25268555 0.88 NOTUM (0.45) NOTUMALDH1A1MAPTTSHRL3MBTL1
SCHEMBL25221357 0.88 CYP1A2 (0.43) NOTUMALOX5AP
SCHEMBL9544807 0.86 NAMPT (0.42) NOTUMNAMPTALDH1A1BCHELMNA
SCHEMBL4285459 0.83 NOTUM (0.42) NOTUMALDH1A1
SCHEMBL5332801 0.83 AKT1 (0.45) NOTUMNAMPTALDH1A1BCHEALOX5AP
SCHEMBL30681234 0.83 AKT1 (0.45) NOTUMNAMPTALDH1A1BCHEALOX5AP
SCHEMBL30681300 0.83 AKT1 (0.45) NOTUMNAMPTALDH1A1BCHEALOX5AP
SCHEMBL9543218 0.83 CYP1A2 (0.44) NOTUMNAMPTALDH1A1BCHEALOX5AP
SCHEMBL5332810 0.83 AKT1 (0.45) NOTUMNAMPTALDH1A1BCHEALOX5AP

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