SCHEMBL16377231

SCHEMBL16377231

CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
CHKA P35790 1/20 0.41
ALOX5 P09917 2/20 0.36
MPL P40238 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
GCGR P47871 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
RARB P10826 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL7057159 0.97 CTSL (0.42) CTSLCTSSCTSKCHKAALOX5
SCHEMBL9494060 0.97 CTSL (0.42) CTSLCTSSCTSKCHKAALOX5
SCHEMBL9487920 0.95 CTSL (0.41) CTSLCTSSCTSKCHKAALOX5
SCHEMBL12735524 0.94 CTSL (0.40) CTSLCTSSCTSKCHKAALOX5
SCHEMBL12740077 0.94 CTSL (0.40) CTSLCTSSCTSKCHKAALOX5
SCHEMBL10535716 0.94 CTSL (0.40) CTSLCTSSCTSKCHKAALOX5
SCHEMBL16377235 0.92 CTSL (0.46) CTSLCTSSCTSKCHKAALOX5
SCHEMBL9485892 0.90 CHKA (0.39) CTSLCTSSCTSKCHKAALOX5
SCHEMBL11996379 0.90 CHKA (0.39) CTSLCTSSCTSKCHKAALOX5
SCHEMBL9563683 0.90 CTSL (0.43) CTSLCTSSCTSKCHKAALOX5

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-9321960-B2 Nematic liquid crystal composition and liquid crystal display device using same DIC Corporation (Tokyo) (JP) 2016-04-26 US disclosed
US-9321960-B2 Nematic liquid crystal composition and liquid crystal display device using same DIC Corporation (Tokyo) (JP) 2016-04-26 US disclosed
US-20150001444-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DIC CORPORATION (JP) 2015-01-01 US disclosed
US-20150001444-A1 NEMATIC LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DIC CORPORATION (JP) 2015-01-01 US disclosed