SCHEMBL91761

SCHEMBL91761

Cc1cc(C)c(-c2cc(C)c(-c3ccc(S(F)(F)(F)(F)F)c(F)c3)c(C)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.32
FFAR1 O14842 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL91666 0.95 RAPGEF4 (0.34) RAPGEF4MEN1ALDH1A1MAPTKMT2A
SCHEMBL91660 0.92 RAPGEF4 (0.33) RAPGEF4MEN1ALDH1A1MAPTKMT2A
SCHEMBL91702 0.80
SCHEMBL91684 0.77 RAPGEF4 (0.32) RAPGEF4FFAR1
SCHEMBL91685 0.76
SCHEMBL91693 0.75 RAPGEF4 (0.34) RAPGEF4
SCHEMBL91658 0.73 RAPGEF4 (0.33) RAPGEF4
SCHEMBL21021433 0.73 PTGS2 (0.45) RAPGEF4
SCHEMBL13087002 0.73 NISCH (0.43) RAPGEF4
SCHEMBL91798 0.72 MAPT (0.36) FFAR1MEN1ALDH1A1MAPTKMT2A

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-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed