SCHEMBL6180339

SCHEMBL6180339

CC(C)(C)OC(=O)NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
AKT1 P31749 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GLS O94925 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
EPHX2 P34913 1/20 0.47
ACE P12821 1/20 0.47
IDO1 P14902 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
CTSS P25774 2/20 0.46

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
SCHEMBL26196775 0.85 ALDH1A1 (0.56) CA12CA1CA7CA14AKT1
SCHEMBL6315721 0.85 CA12 (0.51) CA12CA1CA7CA14AKT1
SCHEMBL28575793 0.84 CTSD (0.43) CA1GLSEPHX2KDM4ENPFFR1
SCHEMBL8827808 0.84 AKT1 (0.51) CA12CA1CA7CA14AKT1
SCHEMBL28674636 0.84 CA12 (0.50) CA12CA1CA7CA14AKT1
SCHEMBL3786487 0.84 HDAC2 (0.53) CA12CA1CA7CA14AKT1
SCHEMBL9292720 0.81 CA12 (0.48) CA12CA1CA7CA14AKT1
SCHEMBL6811825 0.81 GLS (0.65) CA12CA1CA7CA14MEN1
SCHEMBL2246416 0.81 ATM (0.56) CA12CA1CA7CA14AKT1
SCHEMBL23959499 0.80 EPHX2 (0.49) CA12CA1CA7CA14AKT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
EP-1513811-A1 NON-PEPTIDIC BRS-3 AGONISTS Solvay Pharmaceuticals GmbH (DE) 2005-03-16 EP disclosed
WO-2003104196-A1 NON-PEPTIDIC BRS-3 AGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2003-12-18 WO disclosed