SCHEMBL15955801

SCHEMBL15955801

CNC(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.66
NR1H4 Q96RI1 4/20 0.57
EPHX2 P34913 2/20 0.57
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL11145820 0.84 PLK1 (0.66) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL14025527 0.83 PLK1 (0.76) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL9450034 0.82 PLK1 (0.63) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL28501530 0.82 HDAC1 (0.63) NR1H4EPHX2HDAC2HDAC8HDAC6
SCHEMBL11681593 0.81 CA2 (0.48) PLK1NR1H4EPHX2CA2CAMK2A
SCHEMBL659834 0.81 PLK1 (0.68) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL15956061 0.81 PLK1 (0.61) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL28260509 0.80 PLK1 (0.66) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL250247 0.80 HDAC6 (0.80) PLK1NR1H4EPHX2HDAC2HDAC8
SCHEMBL3440217 0.79 PLK1 (0.59) PLK1NR1H4EPHX2HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
WO-2014125426-A1 TRISUBSTITUTED HETEROCYCLIC DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed
WO-2014125426-A1 TRISUBSTITUTED HETEROCYCLIC DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed