SCHEMBL17954457

SCHEMBL17954457

CCCCc1ccc(C#Cc2ccc(/C(F)=C(\F)c3ccc(CCCC)cc3)cc2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.44
RARB P10826 2/20 0.40
PLK1 P53350 1/20 0.40
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP14 P50281 1/20 0.38
MMP25 Q9NPA2 1/20 0.38
MMP13 P45452 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17938133 0.98 FFAR1 (0.43) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL25573555 0.95 FFAR1 (0.41) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL17938134 0.93 THRA (0.41) FFAR1RARBPTPN11PTPROTHRA
SCHEMBL17938150 0.92 PLK1 (0.39) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL8667344 0.92 FFAR1 (0.42) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL17938129 0.91 FFAR1 (0.40) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL10325691 0.89 PLAU (0.40) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL17954456 0.89 FFAR1 (0.40) FFAR1RARBPLK1PTPN11PTPRO
SCHEMBL17938131 0.88 THRA (0.41) FFAR1RARBPTPN11PTPROTHRA
SCHEMBL21522699 0.88 FFAR1 (0.41) FFAR1RARBPTPN11PTPROTHRA

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
EP-2643425-B1 COMPOUNDS FOR A LIQUID CRYSTAL MEDIUM, AND THE USE THEREOF FOR HIGH-FREQUENCY COMPONENTS MERCK PATENT GMBH (DE) 2016-07-27 EP disclosed