SCHEMBL91840

SCHEMBL91840

CCCOc1cc(C2CC[C@@H](CCC)CO2)cc(OCCC)c1-c1ccc(CF)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.35
FPR2 P25090 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PTAFR P25105 2/20 0.32
SSTR5 P35346 4/20 0.32
KCNH2 Q12809 4/20 0.32
SSTR3 P32745 1/20 0.32

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
SCHEMBL91928 0.84 PTAFR (0.33) FASNPTAFR
SCHEMBL91881 0.84 PTAFR (0.33) FASNPTAFR
SCHEMBL92005 0.84 PTAFR (0.33) FASNPTAFR
SCHEMBL92009 0.81 PTAFR (0.32) FASNPTAFR
SCHEMBL91926 0.79 FASN (0.30) FASN
SCHEMBL12759318 0.77 FASN (0.35) FASN
SCHEMBL91842 0.76 HTR1A (0.35) FASNSSTR5
SCHEMBL83414 0.75
SCHEMBL84086 0.75
SCHEMBL8939733 0.74 FPR2 (0.35) FASNFPR2GABRA1GABRB2

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
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed