SCHEMBL6536140

SCHEMBL6536140

CCCCCOc1ccc2c(c1)Cc1cc(CCc3ccc(O)cc3)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.52
LTA4H P09960 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ME2 P23368 1/20 0.45
ME1 P48163 1/20 0.45
ME3 Q16798 1/20 0.45
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44

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
SCHEMBL6536192 0.86 RXRA (0.42) NR5A1ALDH1A1MEN1NPC1GAA
SCHEMBL6536638 0.86 PLA2G4B (0.43) ALDH1A1MEN1NPC1GAAMAPT
SCHEMBL8385525 0.85 MEN1 (0.59) NR5A1LTA4HALDH1A1MEN1NPC1
SCHEMBL14088619 0.82 NPC1 (0.41) NR5A1ALDH1A1MEN1NPC1RAB9A
SCHEMBL11354421 0.82 THRA (0.54) NR5A1LTA4HALDH1A1MEN1NPC1
SCHEMBL11357497 0.82 THRA (0.54) NR5A1LTA4HALDH1A1MEN1NPC1
SCHEMBL8143543 0.82 THRA (0.54) NR5A1LTA4HALDH1A1MEN1NPC1
SCHEMBL4894161 0.81 NPC1 (0.53) LTA4HALDH1A1MEN1NPC1GAA
SCHEMBL6536488 0.81 PDK2 (0.50) NR5A1LTA4HALDH1A1MEN1NPC1
SCHEMBL4942353 0.78 PTGS2 (0.54) ALDH1A1MEN1MAPTKMT2AESR1

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-6824709-B2 A LIQUID CRYSTAL COMPOUND OR LIQUID CRYSTAL POLYMERS, CONTAINING ACRYLATE OR METHACRYLATE FLUORENE GROUP; LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2004-11-30 US disclosed
US-20030203128-A1 Fluorene derivatives and their polymers JNC PETROCHEMICAL CORPORATION (JP) 2003-10-30 US disclosed