SCHEMBL4094057

SCHEMBL4094057

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 15/20 0.40
▸ PTGER2 P43116 12/20 0.40
▸ PTGER3 P43115 5/20 0.39
▸ TBXA2R P21731 1/20 0.38

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
SCHEMBL4094060 1.00 PTGER4 (0.40) PTGER4PTGER2PTGER3TBXA2R
SCHEMBL4303788 1.00 PTGER4 (0.40) PTGER4PTGER2PTGER3TBXA2R
SCHEMBL4084171 0.93 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4299911 0.93 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4084166 0.93 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4096131 0.89 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4096133 0.89 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4305387 0.89 PTGER4 (0.40) PTGER4PTGER2PTGER3
SCHEMBL4296332 0.89 PTGER4 (0.49) PTGER4PTGER2PTGER3TBXA2R
SCHEMBL4090911 0.89 PTGER4 (0.49) PTGER4PTGER2PTGER3TBXA2R

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