SCHEMBL6666751

SCHEMBL6666751

CCCCCc1ccc(C(F)(F)OC(C)c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
CYP19A1 P11511 10/20 0.39
HTR2A P28223 2/20 0.36
FAAH O00519 1/20 0.36
CYP2A6 P11509 1/20 0.36
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
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SHBG P04278 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 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
SCHEMBL6665296 0.91 TSHR (0.40) HSD17B10TSHRCYP19A1CYP2A6KIF11
SCHEMBL6662955 0.90 HTR2A (0.42) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6661968 0.87 HTR2A (0.40) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6662750 0.87 HTR2A (0.40) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6661858 0.86 HTR2A (0.40) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6666975 0.86 FAAH (0.43) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6661170 0.86 CYP2A6 (0.51) HSD17B10TSHRCYP19A1CYP2A6KIF11
SCHEMBL6663070 0.85 HTR2A (0.39) HSD17B10HTR2AFAAHESR1ADRA2A
SCHEMBL6666058 0.83 TSHR (0.36) HSD17B10TSHRHTR2AFAAHKDM4E
SCHEMBL6662927 0.83 HSD17B10 (0.38) HSD17B10TSHRHTR2AFAAHESR1

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