SCHEMBL4093479

SCHEMBL4093479

CCCC[Si](C)(C)OC[C@H]1CCOC(=O)N1CCc1ccc(C(=O)OC(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ PTGER4 P35408 13/20 0.37
▸ PTGER2 P43116 12/20 0.37
▸ PTGER3 P43115 5/20 0.37
▸ PTGER1 P34995 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL4301619 0.85 CYP4F2 (0.41) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL4300961 0.79 CYP4F2 (0.47) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL4551977 0.71 HRH1 (0.42) CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL4300107 0.71 HRH1 (0.42) CYP4F2CYP4A11ALDH1A1HPGD
SCHEMBL4080955 0.69 PTGER4 (0.39) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL3980166 0.69 PTGER4 (0.39) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL3984251 0.69 PTGER4 (0.35) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL4300863 0.69 PTGER4 (0.35) CYP4F2CYP4A11PTGER4PTGER2PTGER3
SCHEMBL4106475 0.68 PTGER4 (0.34) PTGER4PTGER2PTGER3PTGER1
SCHEMBL6900287 0.67 CYP4A11 (0.71) CYP4F2CYP4A11ALDH1A1HPGDSMN1; SMN2

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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