SCHEMBL5502471

SCHEMBL5502471

COC(=O)CCCSCCN1C(=O)CCC[C@@H]1CCC(=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.46
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL4375308 0.90 PTGER4 (0.46) PTGER4
SCHEMBL5760085 0.90 PTGER4 (0.46) PTGER4
SCHEMBL14030671 0.89 PTGER4 (0.55) PTGER4
SCHEMBL14302056 0.88 PTGER4 (0.44) PTGER4
SCHEMBL5790323 0.87 PTGER4 (0.49) PTGER4
SCHEMBL14277452 0.87 PTGER4 (0.43) PTGER4
SCHEMBL5502580 0.85 PTGER4 (0.48) PTGER4
SCHEMBL1380590 0.83 PTGER4 (0.42) PTGER4HCRTR1HCRTR2
SCHEMBL1380595 0.83 PTGER4 (0.42) PTGER4HCRTR1HCRTR2
SCHEMBL5761850 0.83 PTGER4 (0.37) PTGER4HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761495-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS Allergan Inc. (US) 2007-03-14 EP disclosed
WO-2005121086-A2 PIPERIDINYL PROSTAGLANDIN ANALOGS AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2005-12-22 WO disclosed