SCHEMBL13639141

SCHEMBL13639141

CCCC(=O)N(C)CCOc1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 8/20 0.56
RARB P10826 4/20 0.54
PKM P14618 1/20 0.51
PLA2G4A P47712 1/20 0.51
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.50
THRA P10827 2/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL14569973 0.81 TSHR (0.62) TP53TSHRPLA2G4BRARBPKM
SCHEMBL1981044 0.80 PKM (0.62) TP53TSHRPLA2G4BPKMHTT
SCHEMBL21499295 0.79 ESR1 (0.72) TP53
SCHEMBL4511317 0.79 DRD2 (0.64) TP53TSHRPLA2G4BRARBPKM
Hydrochloric Acid SCHEMBL5070229 0.79 PKM (0.61) TP53TSHRPLA2G4BPKMHTT
SCHEMBL736876 0.78 TP53 (0.89) TP53TSHRPLA2G4BRARBPKM
SCHEMBL10798086 0.78 TP53 (0.89) TP53TSHRPLA2G4BRARBPKM
SCHEMBL175191 0.78 TP53 (0.77) TP53TSHRPLA2G4BRARBPKM
SCHEMBL250102 0.77 EBP (0.69) TP53TSHRPLA2G4BPKMHTT
Hydrochloric Acid SCHEMBL21225052 0.77 PKM (0.59) TP53TSHRPLA2G4BPKMHTT

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-1481976-B1 8-AZAPROSTAGLANDIN DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2012-11-07 EP disclosed