SCHEMBL327460

SCHEMBL327460

CC(C)c1cnc2c(Cl)cccc2c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.44
NR1H3 Q13133 14/20 0.44
HAVCR2 Q8TDQ0 1/20 0.41
NR4A2 P43354 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
DHODH Q02127 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL35186 0.85 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL2829190 0.75 HAVCR2 (0.55) NR1H2NR1H3HAVCR2PPARGPPARD
SCHEMBL2719771 0.74 PIK3CD (0.43) NR1H2NR1H3HAVCR2NR4A2LMNA
SCHEMBL11555903 0.73 CYP1A2 (0.42) LMNA
SCHEMBL23479346 0.72 NR4A2 (0.56) NR1H2NR1H3HAVCR2NR4A2LMNA
SCHEMBL28782863 0.71 GRM5 (0.54) NR1H2NR1H3HAVCR2
SCHEMBL29712654 0.71 GRM5 (0.54) NR1H2NR1H3HAVCR2
SCHEMBL20466853 0.69 ATM (0.38) LMNA
SCHEMBL1125326 0.69 NR1H2 (0.47) NR1H2NR1H3HAVCR2NR4A2PPARG
SCHEMBL35232 0.69 NR1H2 (0.61) NR1H2NR1H3HAVCR2PPARGPPARD

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-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP disclosed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO disclosed