SCHEMBL14268653

SCHEMBL14268653

O=C(O)CCCCCCN1C(=O)CCC[C@@H]1CCC(O)Cc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.68
PTGER3 P43115 5/20 0.68
PTGER2 P43116 5/20 0.68

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
SCHEMBL4374909 1.00 PTGER4 (0.68) PTGER4PTGER3PTGER2
SCHEMBL2209602 1.00 PTGER4 (0.68) PTGER4PTGER3PTGER2
SCHEMBL13766272 0.97 PTGER4 (0.67) PTGER4PTGER3PTGER2
SCHEMBL14307456 0.96 PTGER4 (0.66) PTGER4PTGER3PTGER2
SCHEMBL5812669 0.94 PTGER4 (0.76) PTGER4PTGER3PTGER2
SCHEMBL6158522 0.94 PTGER4 (0.76) PTGER4PTGER3PTGER2
SCHEMBL6166899 0.94 PTGER4 (0.76) PTGER4PTGER3PTGER2
SCHEMBL4687934 0.89 PTGER3 (0.55) PTGER4PTGER3PTGER2
SCHEMBL4376498 0.89 PTGER4 (0.56) PTGER4PTGER3PTGER2
SCHEMBL14030688 0.89 PTGER4 (0.62) PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
US-7326716-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2008-02-05 US disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed
US-7179820-B2 Piperidinyl prostaglandin E analogs ALLERGAN, INC. (US) 2007-02-20 US disclosed