SCHEMBL3989100

SCHEMBL3989100

Cc1cc2nccc(OCC(=O)O)c2c(C)c1Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.46
THRA P10827 2/20 0.46
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.41
PPARD Q03181 4/20 0.41
PPARG P37231 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL3989733 0.89 LMNA (0.39) TDP1PTGDR2KDM4C
SCHEMBL3980836 0.82 PTGDR2 (0.51) THRBTHRAPTGDR2KDM4C
SCHEMBL3986238 0.79 MAPKAPK2 (0.38) THRBTHRAKDM4CMAPT
SCHEMBL3777976 0.77 TDP1 (0.44) THRBTHRATDP1TSHRPTGDR2
SCHEMBL3984932 0.77 TDP1 (0.46) TDP1TSHRPTGDR2PPARGKDM4C
SCHEMBL3983780 0.76 THRB (0.46) THRBTHRATDP1TSHRPTGDR2
SCHEMBL3776046 0.75 TDP1 (0.46) TDP1TSHRPTGDR2PPARDMAPT
SCHEMBL3779168 0.74 TDP1 (0.45) THRBTHRATDP1TSHRPTGDR2
SCHEMBL3982787 0.73 PTGDR2 (0.42) PTGDR2PPARDPPARG
SCHEMBL3782778 0.72 PTGDR2 (0.46) THRBTHRATDP1TSHRPTGDR2

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
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed
WO-2009060209-A1 6,6-FUSED BICYCLIC AROMATIC COMPOUNDS AND THEIR THERAPEUTI USE ARGENTA DISCOVERY LIMITED (GB) 2009-05-14 WO disclosed