SCHEMBL14775833

SCHEMBL14775833

CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1CCC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.58
PTGER3 P43115 4/20 0.58
PTGER2 P43116 3/20 0.58
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6160079 0.88 PTGER4 (0.73) PTGER4PTGER3PTGER2
SCHEMBL14775668 0.87 PTGER4 (0.42) PTGER4PTGER3PTGER2P2RX7
SCHEMBL14775810 0.87 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL6710472 0.86 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL6674789 0.86 PTGER4 (0.79) PTGER4PTGER3PTGER2
SCHEMBL4990309 0.84 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL14775797 0.83 P2RX7 (0.43) PTGER4PTGER3PTGER2P2RX7ALDH1A1
SCHEMBL6711603 0.82 PTGER4 (0.59) PTGER4PTGER3PTGER2P2RX7ALDH1A1
SCHEMBL6694775 0.82 PTGER4 (0.59) PTGER4PTGER3PTGER2P2RX7ALDH1A1
SCHEMBL6713022 0.78 PTGER4 (0.50) PTGER4PTGER3PTGER2P2RX7ALDH1A1

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
EP-1503984-B1 8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-20 EP claimed