SCHEMBL6902841

SCHEMBL6902841

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.51
FFAR4 Q5NUL3 8/20 0.51
ELANE P08246 1/20 0.49
POLB P06746 1/20 0.43
PTGDR Q13258 1/20 0.43
FOS P01100 1/20 0.42
JUN P05412 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
CFD P00746 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
SCHEMBL2445135 0.84 HSD17B10 (0.51) FFAR1FFAR4TSHRKDM4EALDH1A1
SCHEMBL1742081 0.82 AKT1 (0.49) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL6904042 0.81 NPSR1 (0.44) FFAR1FFAR4ELANEPOLBFOS
SCHEMBL31112844 0.81 NPSR1 (0.59) ELANENPSR1TSHRKDM4EALDH1A1
SCHEMBL9418061 0.81 NPSR1 (0.59) ELANENPSR1TSHRKDM4EALDH1A1
SCHEMBL10909359 0.81 POLB (0.60) ELANEPOLBFOSJUNKDM4E
SCHEMBL27611659 0.80 CYP4F2 (0.44) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL3813991 0.79 FFAR4 (0.52) FFAR1FFAR4FOSJUN
SCHEMBL28209378 0.79 FFAR4 (0.55) FFAR1FFAR4POLBPTGDRFOS
SCHEMBL6902374 0.79 ELANE (0.47) FFAR1FFAR4ELANEPOLBFOS

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