SCHEMBL9806546

SCHEMBL9806546

CCOC(=O)N(O)Cc1ccc(Cl)c(Nc2ccccc2C(=O)OC)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.60
METTL3 Q86U44 2/20 0.60
CLCN2 P51788 6/20 0.55
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
FTO Q9C0B1 2/20 0.46
AKR1B10 O60218 1/20 0.46
ABCB11 O95342 1/20 0.46
TTR P02766 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
FABP2 P12104 1/20 0.46
RXRA P19793 1/20 0.46
TBXA2R P21731 1/20 0.46
NR4A1 P22736 1/20 0.46
PTGS1 P23219 1/20 0.46
PDE4A P27815 1/20 0.46
AKR1C3 P42330 1/20 0.46
NR4A2 P43354 1/20 0.46

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
SCHEMBL9806544 0.91 CLCN2 (0.68) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL9806516 0.88 PTGS2 (0.63) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL9806503 0.86 CDC25B (0.47) PTGS2METTL3KMT2ALMNACYP1A2
SCHEMBL9806488 0.80 CDC25B (0.49) PTGS2METTL3MEN1KMT2AAKR1B10
SCHEMBL9806602 0.78 PTGS2 (0.67) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL9806486 0.77 CLCN2 (0.73) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL9806506 0.77 CLCN2 (0.50) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL7350139 0.76 PTGS2 (1.00) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL23386249 0.76 METTL3 (1.00) PTGS2METTL3CLCN2MEN1MAPK1
SCHEMBL9806505 0.74 PTGS2 (0.48) PTGS2METTL3KMT2ALMNAGAA

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