SCHEMBL20834693

SCHEMBL20834693

C/C=C/c1ccc(C#Cc2cc(C)c(SC#N)c(F)c2)c(CC)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL23309986 0.94 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL20834691 0.83
SCHEMBL20834872 0.79 FFAR1 (0.34) FFAR1FFAR4ALDH1A1MAPTHTT
SCHEMBL22622685 0.75 PTGER4 (0.36) FFAR1FFAR4
SCHEMBL20835004 0.74 FFAR1 (0.35) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL23309999 0.73 FFAR1 (0.33) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL20834702 0.73 FFAR1 (0.35) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL23309982 0.73 FFAR1 (0.34) FFAR1FFAR4ALDH1A1MAPTHTT
SCHEMBL26187789 0.73 HSD17B1 (0.39) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL20835010 0.72 FFAR1 (0.33) FFAR1FFAR4MAPTHTT

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
WO-2019052972-A1 ISOTHIOCYANATO TOLANE DERIVATIVES MERCK PATENT GMBH (DE) 2019-03-21 WO disclosed