SCHEMBL4154649

SCHEMBL4154649

COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.80
KDM1A O60341 9/20 0.66
MAOA P21397 7/20 0.66
F2 P00734 4/20 0.66
RCOR1 Q9UKL0 3/20 0.66
PRSS1 P07477 3/20 0.66
PRSS2 P07478 3/20 0.66
PRSS3 P35030 3/20 0.66
KDM1B Q8NB78 1/20 0.66
MAOB P27338 2/20 0.64
FPR2 P25090 1/20 0.62
CTSL P07711 2/20 0.61
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
CTSB P07858 1/20 0.61

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
SCHEMBL7038484 0.97 HDAC8 (0.78) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL17556931 0.91 HDAC8 (0.67) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL22408924 0.91 HDAC8 (0.67) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL17556845 0.91 HDAC8 (0.67) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL10706786 0.89 HDAC8 (0.68) HDAC8F2CTSLCTSSCTSK
SCHEMBL7370634 0.89 HDAC8 (0.73) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL22034398 0.88 HDAC8 (0.67) HDAC8CTSLCTSSCTSK
SCHEMBL22034399 0.88 HDAC8 (0.67) HDAC8CTSLCTSSCTSK
SCHEMBL13768102 0.88 LMNA (0.64) HDAC8KDM1AMAOAF2RCOR1
SCHEMBL30816677 0.88 KDM1A (0.86) HDAC8KDM1AMAOAF2RCOR1

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-2009080631-A2 CHEMO-ENZYMATIC SYNTHESIS OF A C-TERMINAL ARYL AMIDE OF AN AMINO ACID OR PEPTIDE DSM IP ASSETS BV (NL) 2009-07-02 WO disclosed