SCHEMBL30106830

SCHEMBL30106830

CCCc1ccc(-c2ccc(-c3ccc(F)c(F)c3F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 2/20 0.39
MPL P40238 3/20 0.38
MCL1 Q07820 1/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
GRIA4 P48058 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL20023226 1.00 RARB (0.40) RARBNPC1RAB9ATP53PKM
SCHEMBL20023225 1.00 RARB (0.40) RARBNPC1RAB9ATP53PKM
SCHEMBL20012999 0.98 RARB (0.41) RARBNPC1RAB9ATP53PKM
SCHEMBL9563689 0.93 MCL1 (0.41) RARBNPC1RAB9ATP53PKM
SCHEMBL9563769 0.91 TAAR1 (0.41) RARBNPC1RAB9AMAOBMPL
SCHEMBL9494063 0.91 LPL (0.42) RARBNPC1RAB9ATP53PKM
SCHEMBL9493621 0.89 TAAR1 (0.42) RARBNPC1RAB9ATP53PKM
SCHEMBL20111284 0.87 RARB (0.37) RARBNPC1RAB9ATP53PKM
SCHEMBL18779834 0.86 RARB (0.49) RARBHSD17B10MPLRARARARG
SCHEMBL9563817 0.86 RARB (0.49) RARBHSD17B10MPLRARARARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022202888-A1 METHOD FOR PRODUCING ORGANIC FLUORINE COMPOUNDS ダイキン工業株式会社 2022-09-29 WO disclosed