SCHEMBL16377229

SCHEMBL16377229

CCCc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
RARB P10826 3/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
ALOX5 P09917 2/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CHKA P35790 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 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
SCHEMBL16377223 0.93 CTSL (0.41) CTSLCTSSCTSKRARBRARA
SCHEMBL18779777 0.93 CTSL (0.41) CTSLCTSSCTSKRARBRARA
SCHEMBL18779779 0.89 RARB (0.47) CTSLCTSSCTSKRARBRARA
SCHEMBL16377221 0.89 RARB (0.43) CTSLCTSSCTSKRARBRARA
SCHEMBL16377210 0.89 RARB (0.40) CTSLCTSSCTSKRARBRARA
SCHEMBL19722146 0.88 RARB (0.52) CTSLCTSSCTSKRARBRARA
SCHEMBL18779783 0.88 RARB (0.52) CTSLCTSSCTSKRARBRARA
SCHEMBL6897375 0.87 RARB (0.40) CTSLCTSSCTSKRARBRARA
SCHEMBL12735619 0.87 RARB (0.37) CTSLCTSSCTSKRARBRARA
SCHEMBL9494060 0.86 CTSL (0.42) CTSLCTSSCTSKRARBALOX5

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