SCHEMBL4565281

SCHEMBL4565281

Cc1cc([C@H](C)NC(=O)c2cc(Cl)ccc2O[C@H]2CC[C@@H](C)CC2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.49
PTGER2 P43116 3/20 0.48
ALDH1A1 P00352 1/20 0.41
ACACB O00763 2/20 0.40
GRIK1 P39086 2/20 0.39
GRIA2 P42262 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
CNR2 P34972 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL5499217 0.89 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL4016850 0.89 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL4015241 0.89 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL4015245 0.89 PTGER4 (0.62) PTGER4PTGER2
SCHEMBL4015418 0.85 PTGER4 (0.51) PTGER4PTGER2ALDH1A1ACACBSMN1; SMN2
SCHEMBL4015415 0.85 PTGER4 (0.51) PTGER4PTGER2ALDH1A1ACACBSMN1; SMN2
SCHEMBL4018731 0.85 PTGER4 (0.51) PTGER4PTGER2ALDH1A1ACACBSMN1; SMN2
SCHEMBL692360 0.81 PTGER4 (0.63) PTGER4PTGER2
SCHEMBL27847704 0.81 PTGER4 (0.63) PTGER4PTGER2
SCHEMBL5502156 0.77 CA1 (0.50) PTGER4PTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
EP-1756043-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 WO disclosed