SCHEMBL28811561

SCHEMBL28811561

Cc1sc(C)c(C(=O)N[C@@H](C)Cc2ccc(C(=O)O)cc2)c1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.80
PTGER2 P43116 5/20 0.80
SRD5A2 P31213 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACACB O00763 1/20 0.42
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL2353056 0.89 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL13655944 0.89 PTGER4 (1.00) PTGER4PTGER2
SCHEMBL4090963 0.88 PTGER4 (0.98) PTGER4PTGER2
Benzoic Acid SCHEMBL27959675 0.86 PTGER4 (0.74) PTGER4PTGER2SRD5A2
SCHEMBL16524288 0.82 PTGER4 (0.69) PTGER4PTGER2SRD5A2PPARA
SCHEMBL27877468 0.80 PTGER4 (0.79) PTGER4PTGER2
SCHEMBL2353281 0.80 PTGER4 (0.79) PTGER4PTGER2
SCHEMBL4091100 0.80 PTGER4 (0.64) PTGER4PTGER2SRD5A2NPC1PPARG
SCHEMBL4090960 0.79 PTGER4 (0.82) PTGER4PTGER2
SCHEMBL14299976 0.79 PTGER4 (0.82) PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541778-B Thiophenecarboxamide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2014-10-08 CN disclosed