SCHEMBL9650323

SCHEMBL9650323

CCCCCCCCCCCCOc1ccc(COc2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
LTA4H P09960 2/20 0.50
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CNR2 P34972 2/20 0.45
TP53 P04637 3/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
HPGD P15428 1/20 0.45
PLA2G4B P0C869 4/20 0.44
TSHR P16473 1/20 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
SCHEMBL9699878 0.90 NR5A1 (0.59) NR5A1LTA4HTHRATHRBCNR2
SCHEMBL9697687 0.90 NR5A1 (0.59) NR5A1LTA4HTHRATHRBCNR2
SCHEMBL9736630 0.90 NR5A1 (0.59) NR5A1LTA4HTHRATHRBCNR2
SCHEMBL9697405 0.90 NR5A1 (0.59) NR5A1LTA4HTHRATHRBCNR2
SCHEMBL17912821 0.85 LTA4H (0.50) NR5A1LTA4HTHRATHRBNPC1
SCHEMBL9651029 0.82 NR5A1 (0.83) NR5A1LTA4HTP53MEN1KMT2A
SCHEMBL9650667 0.82 NR5A1 (0.83) NR5A1LTA4HTP53MEN1KMT2A
SCHEMBL9815747 0.82 NR5A1 (0.83) NR5A1LTA4HTP53MEN1KMT2A
SCHEMBL9650866 0.80 NR5A1 (0.59) NR5A1LTA4HNPC1RAB9ATP53
SCHEMBL31662278 0.80 APP (0.51) NPC1RAB9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321984-B1 MESOMORPHIC COMPOUND HAVING BETA-HYDROXYCARBOXYL GROUP AS CHIRAL SOURCE AND LIQUID CRYSTAL COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1992-10-21 EP disclosed
US-4925591-A FERROELECTRIC MITSUBISHI RAYON CO., LTD. (JP) 1990-05-15 US disclosed
EP-0321984-A1 Mesomorphic compound having beta-hydroxycarboxyl group as chiral source and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1989-06-28 EP disclosed