SCHEMBL4080955

SCHEMBL4080955

CC(C)OC(=O)c1ccc(CCN2C(=O)OCCC2CC[C@@H](O)C(F)(F)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 9/20 0.39
▸ PTGER3 P43115 5/20 0.38
▸ PTGER2 P43116 6/20 0.37
▸ TBXA2R P21731 1/20 0.35
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PTGES O14684 1/20 0.32

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
SCHEMBL3980166 1.00 PTGER4 (0.39) PTGER4PTGER3PTGER2TBXA2RCYP4F2
SCHEMBL4300863 0.93 PTGER4 (0.35) PTGER4PTGER3PTGER2TBXA2RCYP4F2
SCHEMBL3984251 0.93 PTGER4 (0.35) PTGER4PTGER3PTGER2TBXA2RCYP4F2
SCHEMBL4299817 0.89 PTGER4 (0.46) PTGER4PTGER3PTGER2TBXA2RPTGER1
SCHEMBL4088157 0.89 PTGER4 (0.46) PTGER4PTGER3PTGER2TBXA2RPTGER1
SCHEMBL4107654 0.84 PTGER4 (0.52) PTGER4PTGER3PTGER2PTGER1
SCHEMBL4794136 0.84 PTGER4 (0.52) PTGER4PTGER3PTGER2PTGER1
SCHEMBL4303788 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2TBXA2R
SCHEMBL4094060 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2TBXA2R
SCHEMBL4094057 0.83 PTGER4 (0.40) PTGER4PTGER3PTGER2TBXA2R

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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