SCHEMBL3989062

SCHEMBL3989062

O=C(O)COc1ccc(Cl)c2cc(C3CC3)c(Cc3ccc(Cl)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.49
PTGDR Q13258 5/20 0.49
PTGER2 P43116 1/20 0.48
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.42
PPARD Q03181 1/20 0.38
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
SCHEMBL3985878 0.89 PTGDR (0.51) PTGDR2PTGDRPTGER2TDP1TSHR
SCHEMBL3983824 0.83 LMNA (0.38) TSHRMAPT
SCHEMBL3985312 0.82 TDP1 (0.47) PTGDR2PTGDRTDP1TSHRPPARD
SCHEMBL3984015 0.80 ERCC1 (0.37) TDP1TSHRMAPT
SCHEMBL3988279 0.76 TDP1 (0.47) PTGDR2PTGDRTDP1TSHRPPARD
SCHEMBL3989567 0.73 LMNA (0.41) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL3983777 0.71 TDP1 (0.55) PTGDR2PTGDRPTGER2TDP1TSHR
SCHEMBL10732488 0.69 PTGDR2 (0.70) PTGDR2PTGDRPTGER2TDP1TSHR
SCHEMBL3771025 0.69 TDP1 (0.48) PTGDR2PTGDRTDP1TSHRPPARD
SCHEMBL3983651 0.68 PTGDR2 (0.43) PTGDR2TDP1TSHRPPARDMAPT

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