SCHEMBL6536192

SCHEMBL6536192

CCCCCOc1ccc2c(c1)Cc1cc(CCc3ccc(O)c(F)c3)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
MCL1 Q07820 1/20 0.42
PDK2 Q15119 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 8/20 0.40
CNR1 P21554 3/20 0.40
HTR2A P28223 1/20 0.39
NR5A1 Q13285 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6536140 0.86 NR5A1 (0.52) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL6536073 0.80 THRB (0.47) RXRAHTR2ATHRATHRBPTPN11
SCHEMBL6536638 0.80 PLA2G4B (0.43) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL11357497 0.78 THRA (0.54) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL8143543 0.78 THRA (0.54) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL25797424 0.78 NR5A1 (0.56) MCL1PDK2MEN1NPC1ALDH1A1
SCHEMBL11354421 0.78 THRA (0.54) PDK2MEN1NPC1ALDH1A1GAA
SCHEMBL9222413 0.77 NR5A1 (0.59) MCL1CNR2NR5A1
SCHEMBL26547916 0.77 NR5A1 (0.59) MCL1CNR2NR5A1
SCHEMBL25797434 0.77 NR5A1 (0.59) MCL1CNR2NR5A1

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