SCHEMBL14775797

SCHEMBL14775797

CCOC(=O)CCCCCCN1C(=O)CC[C@@H]1CCC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
PTGER4 P35408 5/20 0.43
PTGER3 P43115 5/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTGER2 P43116 4/20 0.42
EPHX2 P34913 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL6164002 0.87 PTGER4 (0.55) PTGER4PTGER3PTGER2
SCHEMBL14775810 0.85 PTGER4 (0.46) PTGER4PTGER3PTGER2
SCHEMBL14775833 0.83 PTGER4 (0.58) P2RX7PTGER4PTGER3ALDH1A1PTGER2
SCHEMBL14775796 0.81 PTGER4 (0.47) P2RX7PTGER4PTGER3KDM4EALDH1A1
SCHEMBL4990309 0.80 PTGER4 (0.40) PTGER4PTGER3PTGER2
SCHEMBL14775668 0.78 PTGER4 (0.42) P2RX7PTGER4PTGER3KDM4EPTGER2
SCHEMBL4993850 0.78 PTGER4 (0.49) P2RX7PTGER4PTGER3PTGER2
SCHEMBL14781402 0.75 FAAH (0.39) PTGER4ALDH1A1
SCHEMBL14775664 0.74 PTGER4 (0.52) PTGER4PTGER3PTGER2
SCHEMBL4994025 0.74 PTGER4 (0.47) PTGER4PTGER3ALDH1A1PTGER2

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