SCHEMBL4090911

SCHEMBL4090911

O=C(O)c1ccc(CCN2C(=O)OCC[C@@H]2C=CC(O)C(F)(F)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 17/20 0.49
▸ PTGER2 P43116 14/20 0.49
▸ TBXA2R P21731 1/20 0.47
▸ PTGER3 P43115 5/20 0.47

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
SCHEMBL4090913 1.00 PTGER4 (0.49) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4296332 1.00 PTGER4 (0.49) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4302762 0.92 PTGER4 (0.51) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4302755 0.92 PTGER4 (0.51) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4094060 0.89 PTGER4 (0.40) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4303788 0.89 PTGER4 (0.40) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4094057 0.89 PTGER4 (0.40) PTGER4PTGER2TBXA2RPTGER3
SCHEMBL4296516 0.88 PTGER4 (0.51) PTGER4PTGER2PTGER3
SCHEMBL4301731 0.88 PTGER4 (0.51) PTGER4PTGER2PTGER3
SCHEMBL4082663 0.88 PTGER4 (0.51) PTGER4PTGER2PTGER3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912957-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD (CA) 2009-05-13 — — EP claimed
EP-1912957-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 — — EP claimed
WO-2007014462-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO claimed
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