SCHEMBL12205752

SCHEMBL12205752

CC(C)(C)CC(C)(C(=O)NCc1ccccc1O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 2/20 0.42
CA12 O43570 6/20 0.41
CA2 P00918 6/20 0.41
ANO1 Q5XXA6 1/20 0.40
CA9 Q16790 5/20 0.40
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 2/20 0.39
AKR1B1 P15121 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MT-CO2 P00403 1/20 0.38
MPO P05164 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 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
SCHEMBL13911836 0.83 RIPK1 (0.42) RIPK1TSHRHIF1ACYP2D6CA12
SCHEMBL18219781 0.81 TSHR (0.52) RIPK1TSHRHIF1ACYP2D6CA12
SCHEMBL20418994 0.77 RIPK1 (0.70) RIPK1TSHRHIF1ACYP2D6CA12
SCHEMBL8061739 0.74 TSHR (0.52) RIPK1TSHRHIF1ACYP2D6KMT2A
SCHEMBL13690835 0.73 TSHR (0.46) TSHRHIF1ACYP2D6KMT2ACA12
SCHEMBL4362706 0.72 TSHR (0.57) TSHRHIF1ACYP2D6KMT2ACA12
SCHEMBL5792738 0.71 KCNA5 (0.52) TSHRHIF1ACYP2D6CA12CA2
SCHEMBL9705190 0.70 MMP8 (0.53) RIPK1TSHRHIF1ACYP2D6CA12
SCHEMBL14733727 0.70 PDK1 (0.51) TSHRKMT2AHSD17B10MAPTMEN1
SCHEMBL4839587 0.70 TSHR (0.59) TSHRHIF1ACYP2D6KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2031448-B1 Method for developing a heat-sensitive lithographic printing plate using an aqueous alkaline developing solution AGFA GRAPHICS NV (BE) 2011-10-19 EP disclosed
WO-2009027272-A1 A METHOD FOR DEVELOPING A PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2009-03-05 WO disclosed