SCHEMBL899956

SCHEMBL899956

CCc1ccc2c(c1)C(c1cc(CC)c(O)c(C(C)C)c1)(c1cc(CC)c(O)c(C(C)C)c1)c1cc(CC)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
IGF1R P08069 1/20 0.33
PDGFRB P09619 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
TRPA1 O75762 1/20 0.33
GSR P00390 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31

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
SCHEMBL900307 0.92 PDK2 (0.40) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL899485 0.87 PDK2 (0.47) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL900437 0.76 TRPA1 (0.44) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL18100870 0.73 ESR1 (0.41) PDK2LMNAMAPTSMN1; SMN2EGFR
SCHEMBL18101032 0.73 ESR1 (0.43) PDK2ALDH1A1LMNAMAPTMAPK1
SCHEMBL899918 0.72 PDK2 (0.43) PDK2ALDH1A1LMNAMAPTMAPK1
SCHEMBL2884823 0.72 ESR1 (0.50) PDK2ALDH1A1LMNAMAPTMAPK1
SCHEMBL900122 0.72 PDK2 (0.45) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL29683736 0.71 PDK2 (0.51) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL900106 0.70 ESR1 (0.51) PDK2LMNAMAPTSMN1; SMN2L3MBTL1

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