SCHEMBL8918798

SCHEMBL8918798

CCCCc1ccc(-c2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RARB P10826 9/20 0.49
RARA P10276 2/20 0.49
RARG P13631 1/20 0.49
TRPV4 Q9HBA0 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTOR P42345 1/20 0.39
HTR2A P28223 1/20 0.39
HSD11B1 P28845 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL13924514 1.00 TSHR (0.54) TSHRHSD17B10RARBRARARARG
SCHEMBL13924512 0.95 HSD17B10 (0.60) TSHRHSD17B10RARBRARARARG
SCHEMBL13924511 0.94 HSD17B10 (0.63) TSHRHSD17B10RARBRARARARG
SCHEMBL20257108 0.94 HSD17B10 (0.63) TSHRHSD17B10RARBRARARARG
SCHEMBL23190432 0.90 MAPT (0.48) TSHRHSD17B10RARBRARARARG
SCHEMBL20257105 0.89 TSHR (0.50) TSHRHSD17B10RARBRARARARG
SCHEMBL9343826 0.88 HSD17B10 (0.59) TSHRHSD17B10RARBRARARARG
SCHEMBL3167854 0.87 HRH3 (0.47) TSHRHSD17B10RARBRARARARG
SCHEMBL9506653 0.87 RAB9A (0.45) TSHRHSD17B10RARBRARARARG
SCHEMBL15783716 0.86 HSD17B10 (0.54) TSHRHSD17B10RARBRARARARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4159258-A None JP disclosed
JP-9118882-A None JP disclosed
JP-H09118882-A LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE COMPOSITION SEIKO EPSON CORP 1997-05-06 JP disclosed
JP-H04159258-A DIFLUOROBENZONITRILE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY USING THE COMPOSITION SEIKO EPSON CORP 1992-06-02 JP disclosed