SCHEMBL8900804

SCHEMBL8900804

CC(=CC=Cc1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CA1 P00915 1/20 0.44
MAOA P21397 4/20 0.43
MAOB P27338 4/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
NFE2L2 Q16236 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP1B1 Q16678 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL1420823 0.91 ALDH1A1 (0.53) MAPTCA1MAOBNFE2L2CYP3A4
SCHEMBL14490241 0.90 MAPT (0.41) MAPTCA1MAOAMAOBPOLB
SCHEMBL13759926 0.90 MAPT (0.41) MAPTCA1MAOAMAOBPOLB
SCHEMBL482810 0.84 ESR1 (0.59) MAPTCA1MAOAMAOBPOLB
SCHEMBL13759917 0.82 CYP1B1 (0.45) MAPTMAOBPOLBRAB9ACYP3A4
SCHEMBL13759925 0.81 RELA (0.51) MAPTMAOAMAOBCYP3A4LMNA
SCHEMBL123484 0.81 CA1 (0.48) MAPTCA1MAOAMAOBPOLB
SCHEMBL23458240 0.80 ALDH1A1 (0.48) MAPTRAB9ALMNAALDH1A1HPGD
SCHEMBL23458229 0.78 MAOB (0.52) MAPTMAOBPOLBRAB9ACYP3A4
SCHEMBL4614234 0.78 MAOB (0.52) MAPTMAOBPOLBRAB9ACYP3A4

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-0705269-B1 TITANIUM(II) OR ZIRCONIUM(II) COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1997-01-15 EP claimed