SCHEMBL9268482

SCHEMBL9268482

CCC(C)Sc1ccc(OCCBr)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.42
PPARA Q07869 13/20 0.42
ALOX5 P09917 11/20 0.42
PTGES O14684 8/20 0.41
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10789684 0.86 LTA4H (0.44) PPARGPPARAALOX5PTGES
SCHEMBL9856294 0.83 PPARG (0.39) PPARGPPARAALOX5PTGESTDP1
SCHEMBL9856269 0.83 TAAR1 (0.44) PPARGPPARAALOX5PTGESTDP1
SCHEMBL9268024 0.83 NR1I2 (0.49) PPARGPPARAALOX5PTGES
SCHEMBL9275804 0.80 LMNA (0.36) PPARGPPARAALOX5PTGESTDP1
SCHEMBL9262825 0.78 NPC1 (0.40) PPARGPPARAALOX5PTGES
SCHEMBL23295252 0.78 NQO1 (0.34) PPARGPPARAALOX5PTGES
SCHEMBL9856427 0.77 PPARG (0.38) PPARGPPARAALOX5PTGES
SCHEMBL9856170 0.77 CA12 (0.44)
SCHEMBL9274915 0.77 LMNA (0.53) PPARGPPARAALOX5PTGESTDP1

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-5389651-A Nitrogen-containing heterocyclyl-oxy and -thio compounds useful as pesticides SANDOZ LTD. (CH) 1995-02-14 US disclosed