SCHEMBL3868004

SCHEMBL3868004

NC(O)CCc1cccc(C#CC2CCCCC2O)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.35
▸ PTGES O14684 5/20 0.35
▸ PTGFR P43088 1/20 0.34
▸ DPP4 P27487 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL233697 0.83 PTGES (0.36) EPHX1PTGES
SCHEMBL232740 0.76 KDM4E (0.32) —
SCHEMBL17891946 0.74 CA1 (0.36) PTGFR
SCHEMBL3869907 0.72 FFAR1 (0.37) PTGESHRH3
SCHEMBL236286 0.72 EPHX1 (0.37) EPHX1PTGES
SCHEMBL3859047 0.72 MAP3K14 (0.39) —
SCHEMBL21826348 0.71 SLC18A3 (0.40) —
SCHEMBL21826347 0.71 SLC18A3 (0.40) —
SCHEMBL21826350 0.71 SLC18A3 (0.40) —
SCHEMBL3860771 0.71 HTT (0.39) —

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-2076122-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 — — EP disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 — — WO disclosed
Send feedback