SCHEMBL4688346

SCHEMBL4688346

Cc1oc(OC(=O)O)cc1COc1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.55
NPC1 O15118 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC26A4 O43511 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL4693788 0.87 PTGER4 (0.70) PTGER4
SCHEMBL4687807 0.86 PTGER4 (0.75) PTGER4
SCHEMBL3531304 0.85 PTGER4 (0.76) PTGER4NPC1
SCHEMBL4693554 0.85 PTGER4 (0.72) PTGER4
SCHEMBL4693573 0.85 PTGER4 (0.54) PTGER4MEN1KMT2AALDH1A1HPGD
SCHEMBL4693615 0.84 PTGER4 (0.53) PTGER4
SCHEMBL4692162 0.82 PTGER4 (0.58) PTGER4MEN1KMT2AALDH1A1HPGD
SCHEMBL4687914 0.81 PTGER4 (0.74) PTGER4
SCHEMBL4692290 0.81 PTGER4 (0.71) PTGER4
SCHEMBL4694643 0.81 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