SCHEMBL4734971

SCHEMBL4734971

Cn1cc(C(=O)OC(=O)C(F)(F)F)nc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
CES1 P23141 4/20 0.35
FAAH O00519 3/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RNASEH1 O60930 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4734974 0.82 PTGER1 (0.52) PTGER1CES1RXFP1NR1H2NR1H3
SCHEMBL4738300 0.79 PTGER1 (0.58) PTGER1PKMRXFP1NR1H2NR1H3
SCHEMBL4737896 0.77 BRD4 (0.41) GABRA2GABRB2
SCHEMBL4737902 0.70 RBP4 (0.46) PKMTSHR
SCHEMBL23081441 0.67 RIPK1 (0.51) PTGER1
SCHEMBL30525763 0.67 RIPK1 (0.51) PTGER1
SCHEMBL30881067 0.67 GABRA2 (0.52) GABRA2GABRB2RXFP1
SCHEMBL17610978 0.67 GABRA2 (0.46) GABRA2GABRB2
SCHEMBL28062278 0.66 RXFP1 (0.42) RXFP1TSHR
SCHEMBL17610980 0.66 PTGER1 (0.51) PTGER1RXFP1

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed