SCHEMBL9806510

SCHEMBL9806510

CC(=O)N(O)C(C)c1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.59
TTR P02766 2/20 0.59
PTGS2 P35354 2/20 0.59
MEN1 O00255 1/20 0.59
AKR1B10 O60218 1/20 0.59
ABCB11 O95342 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
FABP2 P12104 1/20 0.59
RXRA P19793 1/20 0.59
TBXA2R P21731 1/20 0.59
NR4A1 P22736 1/20 0.59
PTGS1 P23219 1/20 0.59
PDE4A P27815 1/20 0.59
MAPK1 P28482 1/20 0.59
AKR1C3 P42330 1/20 0.59
NR4A2 P43354 1/20 0.59
AKR1C2 P52895 1/20 0.59
KMT2A Q03164 1/20 0.59
AKR1C1 Q04828 1/20 0.59

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
SCHEMBL9806512 0.89 PTGS2 (0.61) FTOTTRPTGS2MEN1AKR1B10
SCHEMBL9806482 0.85 AKR1C3 (0.50) FTOTTRPTGS2MEN1AKR1B10
SCHEMBL9806521 0.81 FTO (0.48) FTOTTRPTGS2MEN1AKR1B10
SCHEMBL7350437 0.79 PTGS2 (0.55) FTOTTRPTGS2MEN1AKR1B10
SCHEMBL9806486 0.77 CLCN2 (0.73) FTOTTRPTGS2MEN1AKR1B10
Meclofenamic Acid SCHEMBL29379636 0.75 PTGS2 (1.00) FTOTTRPTGS2MEN1AKR1B10
Meclofenamic Acid SCHEMBL106 0.75 PTGS2 (1.00) FTOTTRPTGS2MEN1AKR1B10
Meclofenamic Acid SCHEMBL11543781 0.75 PTGS2 (1.00) FTOTTRPTGS2MEN1AKR1B10
Meclofenamic Acid SCHEMBL29373906 0.75 PTGS2 (1.00) FTOTTRPTGS2MEN1AKR1B10
SCHEMBL24021566 0.74 CLCN2 (1.00) FTOTTRPTGS2MEN1AKR1B10

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
US-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US claimed