SCHEMBL9806548

SCHEMBL9806548

CCOC(=O)N(O)C(C)c1ccc(C)c(Nc2ccccc2C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
TTR P02766 3/20 0.44
PTGS2 P35354 3/20 0.44
AKR1C3 P42330 3/20 0.44
FTO Q9C0B1 3/20 0.44
AKR1B10 O60218 2/20 0.44
ABCB11 O95342 2/20 0.44
CHRM1 P11229 2/20 0.44
PTGS1 P23219 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
METTL3 Q86U44 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
FABP2 P12104 1/20 0.44
RXRA P19793 1/20 0.44
TBXA2R P21731 1/20 0.44
NR4A1 P22736 1/20 0.44
PDE4A P27815 1/20 0.44

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
SCHEMBL9806524 0.91 METTL3 (0.47) KMT2APTGS2METTL3MAPTHPGD
SCHEMBL9806521 0.86 FTO (0.48) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL9806595 0.78 PTGS2 (0.50) MEN1KMT2ATTRPTGS2AKR1C3
SCHEMBL11106473 0.70 AKR1C3 (0.67) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL9806483 0.68 MEN1 (0.53) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL7851667 0.68 PTGS2 (0.73) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL9806510 0.68 FTO (0.59) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL8555568 0.67 PTGS2 (0.71) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL11799846 0.67 FTO (0.58) CLCN2MEN1KMT2ATTRPTGS2
SCHEMBL9806544 0.67 CLCN2 (0.68) CLCN2MEN1KMT2ATTRPTGS2

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