SCHEMBL8206064

SCHEMBL8206064

COc1ccc(C2=C(Cl)C(Cl)=C(C(C)C)[CH]C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 1/20 0.36
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APP P05067 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8204972 0.84 ALDH1A1 (0.34) PTGS2MAPTABL1ABCB1BCR
SCHEMBL8201027 0.82 DYRK1A (0.39) TDP1MAPTNPSR1
SCHEMBL8206097 0.80 CYP2D6 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5887443 0.74 ACHE (0.46) ALKBH3MAPTNPSR1APPMEN1
SCHEMBL8200077 0.74 PTGS2 (0.35) PTGS1PTGS2
SCHEMBL487342 0.66 RAB9A (0.56) TDP1CA12CA1CA2CA7
SCHEMBL11721244 0.65 ALDH1A1 (0.45) PTGS1PTGS2TDP1CA12CA1
SCHEMBL23419746 0.65 ALDH1A1 (0.48) TDP1CA1CA2MAPTABL1
SCHEMBL84040 0.62 RAB9A (0.62) TDP1CA12CA1CA2CA7
SCHEMBL13913541 0.62 ABL1 (0.56) CA12CA1CA2CA9MAPT

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
US-6140344-A FOR TREATING PATHOLOGICAL CONDITIONS SUCH AS ASTHMA, RHINITIS, ECZEMA AND PARASITIC INFECTIONS FEATURING TISSUE EOSINOPHILIA SYNTEX (U.S.A.) INC. (US) 2000-10-31 US disclosed