SCHEMBL8107925

SCHEMBL8107925

CC(C)(C)c1cc(C=CC=Cc2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
MAPK1 P28482 3/20 0.43
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TTR P02766 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8099032 0.92 TTR (0.48) MAOBMAPK1ALOX5ALDH1A1TRPA1
SCHEMBL7512833 0.83 MAOB (0.61) MAOBMAPK1ALOX5ALDH1A1TRPA1
SCHEMBL7592145 0.83 MAOB (0.61) MAOBMAPK1ALOX5ALDH1A1TRPA1
SCHEMBL28485563 0.79 GABRA1 (0.39) MAPK1ALDH1A1CYP3A4MAPTTP53
SCHEMBL8113164 0.79 MAPT (0.46) MAOBMAPK1ALOX5ALDH1A1LMNA
SCHEMBL6573201 0.79 TP53 (0.46) MAPK1ALOX5CYP3A4MAPTTP53
SCHEMBL6573320 0.79 TP53 (0.46) MAPK1ALOX5CYP3A4MAPTTP53
SCHEMBL6573426 0.79 TP53 (0.46) MAPK1ALOX5CYP3A4MAPTTP53
SCHEMBL29446271 0.78 NFE2L2 (0.53) MAOBALOX5ALDH1A1CYP3A4MAPT
SCHEMBL7545113 0.78 NFE2L2 (0.53) MAOBALOX5ALDH1A1CYP3A4MAPT

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-1027398-A1 LIGHT-EMITTING DENDRIMERS AND DEVICES ISIS INNOVATION LIMITED (GB) 2000-08-16 EP disclosed
WO-1999021935-A1 LIGHT-EMITTING DENDRIMERS AND DEVICES ISIS INNOVATION LIMITED (GB) 1999-05-06 WO disclosed