SCHEMBL13620959

SCHEMBL13620959

CCc1cc(C#Cc2ccc(S)cc2)ccc1C#Cc1ccc(-c2ccc(C#Cc3ccc(S)cc3)c(CC)c2)c(CC)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.34
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL12891122 0.88 FFAR1 (0.40) FFAR1
SCHEMBL13621099 0.88 FFAR1 (0.40) FFAR1
SCHEMBL13620852 0.82 FFAR1 (0.46) FFAR1MMP2MMP9
SCHEMBL19790043 0.81 FFAR1 (0.36) FFAR1
SCHEMBL19057289 0.77 GABRA1 (0.36) FFAR1
SCHEMBL23335247 0.76 ALDH1A1 (0.43) FFAR1
SCHEMBL23335296 0.76 TRPV4 (0.50) FFAR1
SCHEMBL13620732 0.75 HSD17B1 (0.39) RARARARBRARGMMP2MMP3
SCHEMBL19789974 0.74 FFAR1 (0.51) FFAR1MMP2MMP9
SCHEMBL13061700 0.73 HSD17B1 (0.40) RARARARBRARGMMP2MMP3

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-2009143328-A2 ON WIRE LITHOGRAPHY-BASED MOLECULAR TRANSPORT JUNCTIONS NORTHWESTERN UNIVERSITY (US) 2009-11-26 WO disclosed