SCHEMBL16692012

SCHEMBL16692012

CCOc1ccc(C#C[Si](C)(C)C)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.34
HSD17B10 Q99714 5/20 0.33
S1PR1 P21453 5/20 0.33
KDM4E B2RXH2 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.33
CTSS P25774 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL21165796 0.75 L3MBTL1 (0.41) HSD17B10KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL17527769 0.75 L3MBTL1 (0.48) FGFR2HSD17B10KDM4EL3MBTL1MAPK1
SCHEMBL16692011 0.75 L3MBTL1 (0.37) FGFR2FGFR1HSD17B10KDM4EL3MBTL1
SCHEMBL9405959 0.75 AR (0.45) HSD17B10KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL19385645 0.74 KDM4E (0.32) HSD17B10KDM4EALDH1A1HPGDMEN1
SCHEMBL17040987 0.74 HPGD (0.43) HPGDMAPT
SCHEMBL20562881 0.74 TSHR (0.40) HSD17B10KDM4EL3MBTL1MAPK1ALDH1A1
SCHEMBL17997291 0.74 CTSS (0.40) FGFR2HSD17B10KDM4EL3MBTL1MAPK1
SCHEMBL9509326 0.74 AR (0.37) FGFR2KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL9508737 0.73 CYP2A6 (0.37)

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
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-9163178-B2 Liquid crystal compound with negative dielectric anisotropy, liquid crystal display, and optoelectronic device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-10-20 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed
US-20150124210-A1 LIQUID CRYSTAL COMPOUND WITH NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL DISPLAY, AND OPTOELECTRONIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2015-05-07 US disclosed