SCHEMBL9465358

SCHEMBL9465358

CC(=O)C(OC(=O)C=CC(=O)O)(C(C)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.45
KCNN4 O15554 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 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
SCHEMBL2962178 0.81 HCAR2 (0.49) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL2962181 0.81 HCAR2 (0.49) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL28803460 0.81 HCAR2 (0.49) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL7086340 0.79 HCAR2 (0.47) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL7087313 0.79 HCAR2 (0.47) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL7086342 0.79 HCAR2 (0.47) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL9465364 0.76 HCAR2 (0.41) HCAR2KCNN4CYP2C19HIF1ALMNA
SCHEMBL7083020 0.76 HCAR2 (0.46) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL30760595 0.76 HCAR2 (0.46) HCAR2KCNN4CYP2C19HIF1AHDAC3
SCHEMBL30139633 0.76 HCAR2 (0.46) HCAR2KCNN4CYP2C19HIF1AHDAC3

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
US-5177249-A Dicarboxylic acid monoester plus epoxide CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1993-01-05 US disclosed