SCHEMBL9470588

SCHEMBL9470588

CCCOc1ccc(C#Cc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
ACACB O00763 11/20 0.46
APP P05067 5/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL9469465 0.93 LTA4H (0.46) LTA4HACACBAPPCHRNB2CHRNB4
SCHEMBL9470198 0.90 NR5A1 (0.51) LTA4HACACBAPP
SCHEMBL9469759 0.89 NR5A1 (0.54) LTA4H
SCHEMBL9470514 0.89 NR5A1 (0.54) LTA4H
SCHEMBL9470334 0.89 NR5A1 (0.54) LTA4H
SCHEMBL9470079 0.89 NR5A1 (0.54) LTA4H
SCHEMBL14887180 0.88 LTA4H (0.40) LTA4HACACBAPPCHRNB2CHRNB4
SCHEMBL9469740 0.87 ACACB (0.46) LTA4HACACBAPPCHRNB2CHRNB4
SCHEMBL9470591 0.86 NQO1 (0.50) LTA4HACACB
SCHEMBL18747904 0.85 ACACB (0.39) LTA4HACACBAPPCHRNB2CHRNB4

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
US-5242618-A Liquid crystals MERCK PATENT GESELLSCHAFT (DE) 1993-09-07 US disclosed