SCHEMBL20346161

SCHEMBL20346161

CCCCCc1ccc(CCc2ccc(-c3ccc(CCC)cc3)cc2)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MTOR P42345 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL20346154 0.95 ESR1 (0.44) HSD17B10TSHRALDH1A1MEN1MAPT
SCHEMBL9406166 0.93 RARB (0.49) RARBHSD17B10TSHRRARARARG
SCHEMBL9406323 0.92 HSD17B10 (0.51) RARBHSD17B10TSHRRARARARG
SCHEMBL9405848 0.92 HSD17B10 (0.51) RARBHSD17B10TSHRRARARARG
SCHEMBL9405865 0.92 HSD17B10 (0.51) RARBHSD17B10TSHRRARARARG
SCHEMBL20346162 0.92 RARB (0.44) RARBHSD17B10TSHRRARARARG
SCHEMBL12735535 0.91 RARB (0.44) RARBHSD17B10TSHRRARARARG
SCHEMBL12740085 0.91 RARB (0.44) RARBHSD17B10TSHRRARARARG
SCHEMBL9406155 0.90 ALOX5 (0.40) RARBHSD17B10RARARARGMAPT
SCHEMBL9485527 0.89 RARB (0.45) RARBHSD17B10TSHRRARARARG

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-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed
US-20180187079-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME DIC CORPORATION (JP) 2018-07-05 US disclosed