SCHEMBL4790747

SCHEMBL4790747

Cc1cc(C)cc(C(F)(F)[C@H](O)CCC2CCOC(=O)N2CCCc2ccc(C(=O)OC(C)C)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.43
▸ PTGER2 P43116 5/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 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
SCHEMBL4118406 1.00 PTGER4 (0.43) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4105625 0.93 PTGER4 (0.43) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4125204 0.90 PTGER4 (0.52) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4107654 0.90 PTGER4 (0.52) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4794136 0.90 PTGER4 (0.52) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4112956 0.88 PTGER4 (0.46) PTGER4PTGER2PTGER1PTGER3
SCHEMBL4127088 0.84 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL4127094 0.84 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL4791155 0.84 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL4112697 0.81 PTGER4 (0.52) PTGER4PTGER2PTGER1PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 — — EP disclosed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO disclosed
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