SCHEMBL4692162

SCHEMBL4692162

Cc1oc(OC(=O)O)cc1COc1ccc(-c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.58
FFAR4 Q5NUL3 2/20 0.53
FFAR1 O14842 2/20 0.48
NR1H4 Q96RI1 4/20 0.45
HSD17B13 Q7Z5P4 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4687807 0.88 PTGER4 (0.75) PTGER4FFAR4FFAR1
SCHEMBL3537924 0.87 PTGER4 (0.77) PTGER4FFAR4
SCHEMBL4687872 0.86 PTGER4 (0.73) PTGER4FFAR4FFAR1
SCHEMBL4693615 0.86 PTGER4 (0.53) PTGER4FFAR4FFAR1
SCHEMBL4693788 0.83 PTGER4 (0.70) PTGER4
SCHEMBL4688346 0.82 PTGER4 (0.55) PTGER4MEN1ALDH1A1HPGDKMT2A
SCHEMBL4693688 0.81 PTGER4 (0.57) PTGER4
SCHEMBL4693573 0.81 PTGER4 (0.54) PTGER4FFAR4FFAR1MEN1ALDH1A1
SCHEMBL4690798 0.79 PTGER4 (0.60) PTGER4
SCHEMBL4687914 0.77 PTGER4 (0.74) PTGER4

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed