SCHEMBL6662921

SCHEMBL6662921

CCCCCc1ccc(C(F)(F)OCCc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.35
FAAH O00519 1/20 0.35
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
PLK1 P53350 2/20 0.33
MGAT2 Q10469 1/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL6666038 0.92 TRPV4 (0.34) HSD17B10KDM4EALDH1A1TRPV4
SCHEMBL6663192 0.88 CYP2A6 (0.35) TRPV4
SCHEMBL6666053 0.87 TSHR (0.39) HSD17B10TSHRHTR2AFAAHRARB
SCHEMBL6662863 0.87 HTR2A (0.40) HSD17B10HTR2AFAAHRARBRARA
SCHEMBL7730411 0.85 HSD17B10 (0.39) HSD17B10TSHRHTR2AFAAHRARB
SCHEMBL6661191 0.84 HTR2A (0.38) HSD17B10HTR2AFAAHRARBRARA
SCHEMBL6663942 0.84 HTR2A (0.40) HSD17B10HTR2AFAAHRARBRARA
SCHEMBL6666748 0.84 HSD17B10 (0.57) HSD17B10TSHRHTR2AFAAHESR1
SCHEMBL6662949 0.83 FAAH (0.46) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6663171 0.82 SPHK1 (0.34) ALDH1A1LMNA

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-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed