SCHEMBL15722964

SCHEMBL15722964

C/C=C/Oc1ccc(-c2ccc(CCCCCC)c(F)c2F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
ALOX5 P09917 5/20 0.36
TYR P14679 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
PTGS2 P35354 4/20 0.31
LIPG Q9Y5X9 1/20 0.31
CTSG P08311 1/20 0.31

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
SCHEMBL15722963 0.99 CTSS (0.41) CTSSCTSKCTSLALOX5TYR
SCHEMBL15722962 0.95 CTSS (0.42) CTSSCTSKCTSLTYRELANE
SCHEMBL15722960 0.89 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL15722993 0.84 THRB (0.38) TP53CYP3A4THRATHRBPTGS2
SCHEMBL15722959 0.83 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL15722944 0.82 RARB (0.44) TSHRMEN1KMT2ATP53CYP3A4
SCHEMBL15722946 0.82 RARB (0.44) TSHRMEN1KMT2ATP53CYP3A4
SCHEMBL15722945 0.82 RARB (0.44) TSHRMEN1KMT2ATP53CYP3A4
SCHEMBL15722973 0.82 CTSL (0.44) CTSSCTSKCTSLMAPTALOX15
SCHEMBL15722998 0.82 CTSL (0.41) CTSSCTSKCTSL

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-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed