SCHEMBL6446385

SCHEMBL6446385

O=C(O)Oc1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
FABP5 Q01469 1/20 0.42
SLC13A5 Q86YT5 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 1/20 0.41
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
FFAR4 Q5NUL3 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL7795580 0.86 PTGS2 (0.48) RXRARXRBRXRGCES2CES1
SCHEMBL8469587 0.86 RXRA (0.42) RXRARXRBRXRGCES2CES1
SCHEMBL238517 0.84 FAAH (0.47) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL9250596 0.83 RXRA (0.40) RXRARXRBRXRGCES2CES1
SCHEMBL6950322 0.83 KDM4E (0.46) RXRARXRBRXRGSLC13A5ALDH1A1
SCHEMBL28731478 0.83 ALOX15 (0.42) RXRARXRBRXRGCES2CES1
SCHEMBL9571254 0.83 RXRA (0.47) RXRARXRBRXRGCES2CES1
SCHEMBL236823 0.83 FABP3 (0.53) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL1639323 0.82 FABP3 (0.56) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL30563023 0.82 FABP3 (0.56) RXRARXRBRXRGTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210322-B1 METHOD FOR CARRYING OUT THE SIDE CHAIN BROMINATION OF 4-METHYL BIPHENYL DERIVATIVES SUBSTITUTED AT THE 2'-POSITION BOEHRINGER INGELHEIM PHARMA (DE) 2005-02-09 EP disclosed
EP-1210322-A1 METHOD FOR CARRYING OUT THE SIDE CHAIN BROMINATION OF 4-METHYL BIPHENYL DERIVATIVES SUBSTITUTED AT THE 2'-POSITION Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2000063164-A1 METHOD FOR CARRYING OUT THE SIDE CHAIN BROMINATION OF 4-METHYL BIPHENYL DERIVATIVES SUBSTITUTED AT THE 2'-POSITION BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-10-26 WO disclosed
WO-1999033788-A2 METHOD FOR PRODUCING AROMATIC BROMOMETHYL BIPHENYL COMPOUNDS GREAT LAKES CHEMICAL KONSTANZ GMBH (DE) 1999-07-08 WO disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed