SCHEMBL11535183

SCHEMBL11535183

CC(C)(COC(=O)Cc1ccccc1)C(=O)C(Br)Oc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
PPARA Q07869 9/20 0.45
MAPT P10636 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KLK7 P49862 2/20 0.39
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
PAM P19021 1/20 0.39

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
SCHEMBL11535041 0.94 MAPT (0.47) PPARGPPARAMAPTALDH1A1L3MBTL1
SCHEMBL11536661 0.85 PPARG (0.45) PPARGPPARAMAPTL3MBTL1POLB
SCHEMBL11536615 0.85 PPARA (0.48) PPARGPPARAMAPTADRB2ADRB1
Chlorobenzene SCHEMBL11535046 0.85 PPARA (0.42) PPARGPPARAMAPT
SCHEMBL11541146 0.84 PPARA (0.41) PPARGPPARAMAPTALDH1A1
SCHEMBL11540833 0.84 PPARA (0.38) PPARGPPARAMAPT
SCHEMBL11540413 0.84 MAPK1 (0.44) PPARGPPARAADRB2ADRB1ADRB3
SCHEMBL11537279 0.83 GRIN2D (0.39) PPARGPPARAMAPT
SCHEMBL11539084 0.82 GRIN2D (0.38) PPARGPPARAMAPTALDH1A1
SCHEMBL11543416 0.82 PTGS2 (0.38) PPARGPPARAMAPTCNR1CNR2

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-4154842-A Fungicidally and bactericidally active 1-azolyl-4-hydroxy-1-phenoxy-butane derivatives BAYER AKTIENGESELLSCHAFT (DE) 1979-05-15 US disclosed