SCHEMBL18442003

SCHEMBL18442003

C=Cc1cc(C(C)C)ccc1/C=C\C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.41
LMNA P02545 1/20 0.34
RNASEH1 O60930 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
SCN4A P35499 1/20 0.34
RAB9A P51151 1/20 0.34
PTGS1 P23219 2/20 0.33
TRPA1 O75762 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ALOX12 P18054 2/20 0.32
HTT P42858 2/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL25669034 0.88 TYR (0.46) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL28477167 0.79 TYR (0.59) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL23251117 0.78 TYR (0.41) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL1491155 0.77 LMNA (0.50) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL29364648 0.77 LMNA (0.50) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL3942283 0.77 LMNA (0.50) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL17160003 0.77 TYR (0.43) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL31494654 0.77 LMNA (0.50) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL2161558 0.77 LMNA (0.50) TYRLMNARNASEH1SMN1; SMN2NPC1
SCHEMBL12030849 0.76 TYR (0.42) TYRLMNARNASEH1SMN1; SMN2NPC1

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
EP-3125321-A1 ORGANIC-SEMICONDUCTOR-FILM-FORMING COMPOSITION Fujifilm Corporation (JP) 2017-02-01 EP disclosed