SCHEMBL4693864

SCHEMBL4693864

Cc1oc(OC(=O)O)cc1CN(C)c1ccc(-c2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.51
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3536223 0.86 PTGER4 (0.69) PTGER4
SCHEMBL4686947 0.82 PTGER4 (0.73) PTGER4
SCHEMBL3534680 0.82 PTGER4 (0.55) PTGER4KDM4EALDH1A1LMNAHPGD
SCHEMBL4691619 0.80 PTGER4 (0.58) PTGER4MEN1KMT2AALDH1A1
SCHEMBL4693153 0.80 PTGER4 (0.52) PTGER4LMNA
SCHEMBL4690414 0.74 PTGER4 (0.55) PTGER4
SCHEMBL3538824 0.73 PTGER4 (0.73) PTGER4
SCHEMBL4693688 0.69 PTGER4 (0.57) PTGER4
SCHEMBL4693788 0.69 PTGER4 (0.70) PTGER4
SCHEMBL4694643 0.68 PTGER4 (0.58) 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