SCHEMBL6813530

SCHEMBL6813530

CCOC(=O)COc1ccc(CCBr)cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
FFAR4 Q5NUL3 1/20 0.50
ABCB1 P08183 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
FFAR1 O14842 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6813693 0.88 ALDH1A1 (0.48) ABCB1LMNAALDH1A1PPARGPPARA
SCHEMBL7914606 0.83 NPC1 (0.56) ABCB1POLBMAPTTHRBKDM4E
SCHEMBL7339434 0.82 SLC2A1 (0.54) APPFFAR4KDM4ELMNAMTNR1A
SCHEMBL13215072 0.82 KDM4E (0.52) FFAR4ABCB1POLBMAPTTHRB
SCHEMBL8890494 0.82 APP (0.61) APPFFAR4POLBMAPTTHRB
SCHEMBL6813642 0.81 ESR1 (0.52) FFAR4ABCB1KDM4EALDH1A1PPARG
SCHEMBL6131789 0.81 KDM4E (0.60) APPABCB1MAPTKDM4ELMNA
SCHEMBL6813752 0.80 ALDH1A1 (0.45) ABCB1MAPTKDM4ELMNAALDH1A1
SCHEMBL6813807 0.80 ESR1 (0.48) ABCB1KDM4EALDH1A1PPARGPPARA
SCHEMBL6813613 0.80 GAA (0.50) ABCB1MAPTALDH1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed