SCHEMBL15512809

SCHEMBL15512809

COC(=O)CNCc1c(OC(=O)O)n(Cc2cccc3ccc(F)cc23)c2ccc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.40
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
PTGDR Q13258 4/20 0.36
PTGIR P43119 1/20 0.36
POLB P06746 1/20 0.35
HASPIN Q8TF76 1/20 0.35

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
SCHEMBL15512357 0.96 PTGDR2 (0.39) PTGDR2MAPTALDH1A1LMNAHK1
SCHEMBL15512880 0.95 POLB (0.41) PTGDR2MAPTTP53POLBHASPIN
SCHEMBL15513490 0.92 PTGDR2 (0.40) PTGDR2ALDH1A1HK1HKDC1TP53
SCHEMBL15512392 0.88 PTGDR2 (0.40) PTGDR2ALDH1A1HK1HKDC1HSD17B10
SCHEMBL15512702 0.88 PTGDR2 (0.40) PTGDR2TP53PTGDRPTGIRPOLB
SCHEMBL3277171 0.87 TP53 (0.48) PTGDR2MAPTTP53POLB
SCHEMBL15512990 0.87 PTGDR2 (0.41) PTGDR2PTGDRPTGIR
SCHEMBL15513159 0.87 MEN1 (0.40) PTGDR2MAPTALDH1A1HK1HKDC1
SCHEMBL15512537 0.85 PER2 (0.44) PTGDR2PTGDRPTGIR
SCHEMBL15513295 0.84 PTGDR2 (0.39) PTGDR2TP53PTGDRPTGIRPOLB

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-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP claimed