SCHEMBL7286547

SCHEMBL7286547

OC(C=C(F)F)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.35
PTGER3 P43115 2/20 0.35
PTGER2 P43116 1/20 0.35
TP53 P04637 1/20 0.30
CTSL P07711 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
SCHEMBL5185806 0.76 PTGER4 (0.33) PTGER4PTGER3PTGER2
SCHEMBL5382402 0.75 MEN1 (0.35) PTGER4PTGER3PTGER2CTSL
SCHEMBL9575583 0.74 IDO1 (0.37) PTGER4PTGER3PTGER2TP53
SCHEMBL9575838 0.74 IDO1 (0.37) PTGER4PTGER3PTGER2TP53
SCHEMBL9450427 0.74 IDO1 (0.37) PTGER4PTGER3PTGER2TP53
SCHEMBL10597079 0.74 IDO1 (0.37) PTGER4PTGER3PTGER2TP53
SCHEMBL8901183 0.74 IDO1 (0.34) PTGER4PTGER3PTGER2TP53
SCHEMBL515453 0.74 ADH1B (0.40) PTGER4PTGER3PTGER2CTSL
SCHEMBL9575433 0.71 IDO1 (0.35) PTGER4PTGER3PTGER2
SCHEMBL6085440 0.71 IDO1 (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297815-B1 Fluorine containing renin inhibitors PFIZER (US) 1994-07-27 EP disclosed
EP-0297815-A2 Fluorine containing renin inhibitors PFIZER INC. (US) 1989-01-04 EP disclosed