SCHEMBL4017801

SCHEMBL4017801

O=C(O)Cc1ccc(CS(=O)(=O)c2ccc(Oc3cccc(-c4ccnc5c(C(F)(F)F)cccc45)c3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.61
NR1H3 Q13133 19/20 0.61
RXRA P19793 1/20 0.61
PPARG P37231 2/20 0.50
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
FFAR1 O14842 1/20 0.45

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
SCHEMBL4013080 0.85 NR1H2 (0.74) NR1H2NR1H3RXRA
SCHEMBL4009726 0.85 NR1H2 (0.73) NR1H2NR1H3RXRA
SCHEMBL4012557 0.84 NR1H2 (0.68) NR1H2NR1H3RXRA
SCHEMBL4011703 0.83 NR1H2 (0.69) NR1H2NR1H3RXRA
SCHEMBL1125243 0.82 NR1H2 (0.69) NR1H2NR1H3RXRAPPARGPPARD
SCHEMBL4016631 0.82 NR1H2 (0.64) NR1H2NR1H3RXRA
SCHEMBL4012844 0.82 NR1H2 (0.66) NR1H2NR1H3RXRA
SCHEMBL4013275 0.82 NR1H2 (0.70) NR1H2NR1H3RXRA
SCHEMBL4015578 0.82 NR1H2 (0.63) NR1H2NR1H3RXRA
SCHEMBL4012467 0.81 NR1H2 (0.86) NR1H2NR1H3RXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed