SCHEMBL9843817

SCHEMBL9843817

CCCCc1nc(C(=O)OCC)cc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.52
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51

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
SCHEMBL4305127 0.85 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL9843897 0.84 PPARG (0.58) PPARGAGTR1AGTR2
SCHEMBL9843823 0.83 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL9843913 0.83 PPARG (0.60) PPARGAGTR1AGTR2
SCHEMBL1888053 0.83 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL8823614 0.82 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9402044 0.81 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL9199820 0.81 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL9844140 0.81 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL9843750 0.81 PPARG (0.56) PPARGAGTR1AGTR2

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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed