SCHEMBL8085554

SCHEMBL8085554

C(C=Cc1ccccc1)=Cc1ccccc1.[Zr]C1CCC2CC=CC=C12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 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
SCHEMBL27510733 0.86 MAOB (0.39) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL25317454 0.68 SLC18A3 (0.33) ALDH1A1MAPK1MAPTSIGMAR1
SCHEMBL12818013 0.65 SLC6A2 (0.36)
SCHEMBL10320042 0.65
SCHEMBL5875512 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5
Benzene SCHEMBL135524 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL39483 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL592744 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5
Benzene SCHEMBL9803304 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5
SCHEMBL23458007 0.64 MAOB (1.00) MAOBLMNATRPA1ALDH1A1ALOX5

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-0889911-B1 METALLOCENE COCATALYST DOW CHEMICAL CO (US) 2000-11-02 EP claimed