SCHEMBL1035883

SCHEMBL1035883

COC(=O)COCCCCN1C(=O)CC[C@H]1CCC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
PTGER4 P35408 3/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
EPHX2 P34913 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
SCHEMBL1035884 1.00 P2RX7 (0.42) P2RX7TP53MDM2PTGER4PTGER3
SCHEMBL1038453 0.90 PTGER4 (0.47) PTGER4PTGER3PTGER2
SCHEMBL1038452 0.90 PTGER4 (0.47) PTGER4PTGER3PTGER2
SCHEMBL5744415 0.87 PTGER4 (0.40) P2RX7PTGER4EPHX2
SCHEMBL5683084 0.85 P2RX7 (0.41) P2RX7TP53MDM2PTGER4PTGER2
SCHEMBL1036208 0.85 PTGER3 (0.54) PTGER4PTGER3PTGER2
SCHEMBL1036210 0.85 PTGER3 (0.54) PTGER4PTGER3PTGER2
SCHEMBL1036209 0.85 PTGER3 (0.54) PTGER4PTGER3PTGER2
SCHEMBL1380595 0.84 PTGER4 (0.42) PTGER4PTGER3PTGER2
SCHEMBL1380590 0.84 PTGER4 (0.42) 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
EP-1638936-B1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2011-01-26 EP disclosed
EP-1638936-A1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2006-03-29 EP disclosed
WO-2004108670-A1 3-OXA-8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2004-12-16 WO disclosed
US-6734206-B1 POTENT OCULAR HYPOTENSIVES THAT ARE PARTICULARLY SUITED FOR THE MANAGEMENT OF GLAUCOMA ALLERGAN, INC. 2004-05-11 US disclosed