SCHEMBL17308136

SCHEMBL17308136

CCCCC1C=CC(CCCC(=O)O)C(C(=O)O)C1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
ALOX5 P09917 1/20 0.46
PPARG P37231 8/20 0.45
GPR84 Q9NQS5 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
KMT2A Q03164 2/20 0.45
FFAR1 O14842 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL13237090 0.93 GPR84 (0.52) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL11428058 0.90 GPR84 (0.57) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL11421643 0.90 GPR84 (0.57) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL11866012 0.86 ALOX5 (0.47) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL1196080 0.83 DNTT (0.44) ALOX5PPARGGPR84PPARDPPARA
SCHEMBL12000689 0.79 AKR1B1 (0.53) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL15537659 0.78 GPR84 (0.65) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL16842726 0.78 GPR84 (0.65) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL16842694 0.78 GPR84 (0.65) AKR1B1ALOX5PPARGGPR84PPARD
SCHEMBL11869827 0.77 DNTT (0.40) ALOX5PPARGGPR84PPARDPPARA

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-20150344816-A1 DERIVATIVES OF FATTY ESTERS, FATTY ACIDS AND ROSINS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2015-12-03 US disclosed