SCHEMBL900122

SCHEMBL900122

CCc1ccc2c(c1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(CC)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.45
TRPA1 O75762 1/20 0.41
PDE4D Q08499 11/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.37

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
SCHEMBL16311011 0.86 TRPA1 (0.41) PDK2TRPA1ALDH1A1MAPTMAPK1
SCHEMBL29683736 0.81 PDK2 (0.51) PDK2TRPA1ALDH1A1MAPTMAPK1
SCHEMBL899538 0.81 ESR1 (0.60) PDK2TRPA1ALDH1A1MAPTL3MBTL1
SCHEMBL900437 0.81 TRPA1 (0.44) PDK2TRPA1ALDH1A1MAPTMAPK1
SCHEMBL899485 0.80 PDK2 (0.47) PDK2TRPA1ALDH1A1MAPTMAPK1
SCHEMBL31633741 0.79 PDE4D (0.50) PDK2PDE4DMAPTMEN1KMT2A
SCHEMBL900053 0.77 CNR1 (0.54) PDK2TRPA1PDE4DALDH1A1ALOX15
SCHEMBL899918 0.76 PDK2 (0.43) PDK2TRPA1ALDH1A1MAPTMAPK1
SCHEMBL7050088 0.76 MAPT (0.65) PDK2ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL29579551 0.76 MAPT (0.65) PDK2ALDH1A1MAPTMAPK1L3MBTL1

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-2012042058-A1 IMPACT RESISTANCE MODIFIERS FOR EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2012-04-05 WO disclosed