SCHEMBL4669044

SCHEMBL4669044

CCCCCCCCC(O)(Br)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.45
GGPS1 O95749 5/20 0.45
CES2 O00748 1/20 0.44
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
TSHR P16473 3/20 0.43
GPR84 Q9NQS5 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
FABP4 P15090 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN1 P18031 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL3916724 0.91 TDP1 (0.37) PPARGPPARDPPARATSHRGPR84
SCHEMBL16860500 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL11817654 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL6001993 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL10736732 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL10998086 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL29196171 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL22264633 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL22264627 0.80 CES2 (0.45) CES2PPARGPPARDPPARATSHR
SCHEMBL27520410 0.80 PPARD (0.47) CES2PPARGPPARDPPARATSHR

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-1902146-A2 METHODS FOR IDENTIFYING PHARMACOLOGY AND TOXICOLOGY Ribonomics, Inc. (US) 2008-03-26 EP claimed
WO-2007050132-A2 METHODS FOR IDENTIFYING PHARMACOLOGY AND TOXICOLOGY RIBONOMICS, INC. (US) 2007-05-03 WO claimed
US-20060275816-A1 Methods for identifying drug pharmacology and toxicology RIBONOMICS, INC. (US) 2006-12-07 US claimed
EP-1902146-A2 METHODS FOR IDENTIFYING PHARMACOLOGY AND TOXICOLOGY Ribonomics, Inc. (US) 2008-03-26 EP disclosed
WO-2007050132-A2 METHODS FOR IDENTIFYING PHARMACOLOGY AND TOXICOLOGY RIBONOMICS, INC. (US) 2007-05-03 WO disclosed
US-20060275816-A1 Methods for identifying drug pharmacology and toxicology RIBONOMICS, INC. (US) 2006-12-07 US disclosed