SCHEMBL6818704

SCHEMBL6818704

COCc1ccc(CC(=O)O)cc1.COCc1ccc(CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.59
CYP4A11 Q02928 4/20 0.59
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 2/20 0.50
CAMK2A Q9UQM7 1/20 0.50
PPARA Q07869 1/20 0.45
AKR1B1 P15121 1/20 0.44
GAA P10253 3/20 0.43
FFAR1 O14842 2/20 0.43
TSHR P16473 2/20 0.43
PTGS1 P23219 2/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL3313524 0.89 CA2 (0.61) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL23501410 0.85 ALDH1A1 (0.61) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL6817399 0.85 CA2 (0.58) CYP4F2CYP4A11ALDH1A1CA2PPARA
SCHEMBL29280882 0.78 FFAR1 (0.65) CA2FFAR1LMNA
Phenylacetic Acid SCHEMBL29278083 0.77 AKR1B1 (0.74) CYP4F2CYP4A11ALDH1A1HPGDHSD17B10
SCHEMBL13191515 0.75 HTT (0.47) CYP4F2CYP4A11ALDH1A1CA2CAMK2A
SCHEMBL25984402 0.75 CA2 (0.47) CYP4F2CYP4A11ALDH1A1CA2PPARA
SCHEMBL2996429 0.74 CA2 (0.68) ALDH1A1HPGDHSD17B10CA2CAMK2A
SCHEMBL9332759 0.74 CYP4A11 (1.00) CYP4F2CYP4A11ALDH1A1PPARAGAA
SCHEMBL14238643 0.74 CA2 (0.57) ALDH1A1HPGDHSD17B10CA2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed