SCHEMBL9645707

SCHEMBL9645707

CCCCC(CC)(CCBr)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
AKR1B1 P15121 1/20 0.32
FAAH O00519 1/20 0.32
FDPS P14324 1/20 0.31
GPR84 Q9NQS5 7/20 0.31
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 0.31
PPARA Q07869 6/20 0.31
HDAC11 Q96DB2 5/20 0.31
TSHR P16473 4/20 0.31
ALDH1A1 P00352 2/20 0.31
TLR2 O60603 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
FABP4 P15090 2/20 0.31
PTPN1 P18031 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
MEN1 O00255 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL120634 0.89 CYP4F2 (0.39) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL9180682 0.87 CYP4F2 (0.38) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL9180107 0.87 CYP4F2 (0.38) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL9180147 0.87 CYP4F2 (0.42) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL12196377 0.86 FDPS (0.36) CYP4F2CYP4A11AKR1B1FDPSGPR84
SCHEMBL1244829 0.86 FDPS (0.36) CYP4F2CYP4A11AKR1B1FDPSGPR84
SCHEMBL2846893 0.86 FDPS (0.36) CYP4F2CYP4A11AKR1B1FDPSGPR84
Ammonia Solution, Strong SCHEMBL9177504 0.85 CYP4F2 (0.37) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL9177260 0.85 CYP4F2 (0.37) CYP4F2CYP4A11AKR1B1GPR84PPARG
SCHEMBL9180464 0.85 CYP4F2 (0.37) CYP4F2CYP4A11AKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1292785-A Blood lipid lowering benzothiophene * compounds GLAXO GROUP LTD (GB) 2001-04-25 CN disclosed
CN-1059674-C Reduced blood lipid benzothiazepine * WELLCOME FOUND (GB) 2000-12-20 CN disclosed
CN-1164230-A Hypolipidemic benzothiazepines WELLCOME FOUND (GB) 1997-11-05 CN disclosed
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed