SCHEMBL9447429

SCHEMBL9447429

CCCc1cc(CBr)ccc1Oc1ccccc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
CXCL8 P10145 2/20 0.51
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
CAMK2A Q9UQM7 2/20 0.42
IDO1 P14902 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PLAU P00749 2/20 0.39
CFD P00746 1/20 0.39
PLG P00747 1/20 0.39
F11 P03951 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
TPSB2 P20231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL906709 0.80 CXCL8 (0.57) CHRM1CXCL8LTB4RLTB4R2CAMK2A
SCHEMBL9051204 0.78 CYP1A2 (0.39) L3MBTL1
SCHEMBL11097326 0.77 CXCL8 (0.79) CHRM1CXCL8CAMK2APLAUCFD
SCHEMBL9165064 0.77 PPARD (0.42) IDO1PPARGPPARDPPARA
SCHEMBL9051202 0.75 EDNRB (0.55) PPARGPPARA
SCHEMBL7410289 0.72 PPARG (0.50) PPARGPPARAPLAU
SCHEMBL4032382 0.72 AKR1B1 (0.57) CXCL8PPARGPPARA
SCHEMBL1253400 0.71 CXCL8 (0.66) CHRM1CXCL8CAMK2AL3MBTL1
SCHEMBL11335218 0.70 CXCL8 (0.59) CHRM1CXCL8CAMK2AFFAR1
SCHEMBL2202797 0.70 SLC6A2 (0.54) PPARDSLC6A2SLC6A4SLC6A3

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-5274104-A N-substituted heterocyclic derivatives useful in the treatment of cardiovascular disorders ELF SANOFI, A FRENCH CORP. (FR) 1993-12-28 US disclosed