SCHEMBL17070822

SCHEMBL17070822

CCCc1cc(C)c(-c2cc(F)c(F)c(F)c2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.36
FFAR4 Q5NUL3 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL16521129 0.86 RAPGEF4 (0.34) RAPGEF4
SCHEMBL8640226 0.81 NPC1 (0.30) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL6793126 0.81 RIPK1 (0.38) RAPGEF4PTGS2NPC1TP53PKM
SCHEMBL16488492 0.76 RARB (0.42) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL15965523 0.76 RARB (0.42) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL21448653 0.75 NPC1 (0.38) FFAR4PTGS2NPC1TP53PKM
SCHEMBL9255718 0.74 NPC1 (0.33) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL17108404 0.74 RARB (0.40) NPC1TP53PKMRAB9ASMN1; SMN2
SCHEMBL13342413 0.74 FFAR4 (0.38) RAPGEF4FFAR4PTGS1PTGS2NPC1
SCHEMBL29295181 0.74 FFAR4 (0.38) RAPGEF4FFAR4PTGS1PTGS2NPC1

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-9441160-B2 Fluorobiphenyl-containing composition DIC CORPORATION (JP) 2016-09-13 US disclosed
US-20150376501-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING SAME DIC CORPORATION (JP) 2015-12-31 US disclosed
US-20150291881-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-10-15 US disclosed
US-20150252263-A1 FLUOROBIPHENYL-CONTAINING COMPOSITION DIC CORPORATION (JP) 2015-09-10 US disclosed