SCHEMBL3982787

SCHEMBL3982787

COC(=O)COc1ccnc2cc(C)c(Cc3ccc(-n4cccn4)cc3)c(C)c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
KLKB1 P03952 3/20 0.40
CHRM1 P11229 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RORC P51449 8/20 0.39
TNIK Q9UKE5 1/20 0.37
ADRA2B P18089 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
NR1H3 Q13133 1/20 0.36
NR1I3 Q14994 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3980836 0.91 PTGDR2 (0.51) PTGDR2KLKB1CHRM1RXFP1RORC
SCHEMBL3989733 0.83 LMNA (0.39) PTGDR2RXFP1
SCHEMBL3989030 0.81 CHRM1 (0.39) PTGDR2KLKB1CHRM1RORCTNIK
SCHEMBL3351455 0.77 PTGDR2 (0.43) PTGDR2KLKB1CHRM1RORC
SCHEMBL2571339 0.77 PTGDR2 (0.50) PTGDR2CHRM1RORC
SCHEMBL2576335 0.77 PTGDR2 (0.43) PTGDR2KLKB1CHRM1RORC
SCHEMBL2575061 0.77 PTGDR2 (0.56) PTGDR2RORCADRA2BPPARGPPARD
SCHEMBL2568427 0.77 RORC (0.48) PTGDR2RORCADRA2BPPARGPPARD
SCHEMBL3345117 0.77 PTGDR2 (0.50) PTGDR2KLKB1CHRM1RORC
SCHEMBL2570536 0.76 PTGDR2 (0.56) PTGDR2KLKB1CHRM1RORC

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