SCHEMBL6902374

SCHEMBL6902374

CC(=O)Oc1ccc(OC(F)(F)F)cc1CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
CXCR2 P25025 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
FFAR1 O14842 9/20 0.44
FFAR4 Q5NUL3 11/20 0.44
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
AKT1 P31749 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 2/20 0.41
SCN5A Q14524 1/20 0.41
CACNA1C Q13936 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL15780081 0.85 AKT1 (0.50) CXCR2PPARDPPARAAKT1POLB
SCHEMBL10909359 0.83 POLB (0.60) ELANEPPARGPPARDPPARAFOS
SCHEMBL6909211 0.81 CXCR2 (0.46) CXCR2PPARDPPARAAKT1POLB
SCHEMBL13197063 0.80 CXCR2 (0.46) CXCR2PPARGPPARDPPARAAKT1
SCHEMBL6902841 0.79 FFAR1 (0.51) ELANEFFAR1FFAR4FOSJUN
SCHEMBL30151160 0.79 FFAR4 (0.60) FFAR1FFAR4POLBCYP2C9SCN5A
SCHEMBL18528800 0.77 FFAR4 (0.54) FFAR1FFAR4POLBCYP2C9SCN5A
SCHEMBL11706717 0.77 KDM4E (0.50) AKT1KDM4E
SCHEMBL27051460 0.76 CFD (0.59) POLBKDM4ECYP2C9
SCHEMBL15434125 0.76 FFAR1 (0.47) PPARGPPARDPPARAFFAR1FFAR4

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-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP claimed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP disclosed