SCHEMBL7072893

SCHEMBL7072893

CCCCCCCCCCCCCCCCCCOc1cc[c]c(-c2ccc(O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.58
LTA4H P09960 3/20 0.51
ALDH2 P05091 1/20 0.47
RARB P10826 3/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN11 Q06124 2/20 0.41
CNR2 P34972 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
SMPD1 P17405 2/20 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
SCHEMBL7072904 1.00 NR5A1 (0.58) NR5A1LTA4HALDH2RARBTSHR
SCHEMBL11016291 0.94 LTA4H (0.53) NR5A1LTA4HALDH2TSHRMEN1
SCHEMBL9783835 0.90 NR5A1 (0.50) NR5A1LTA4HRARBTSHRALDH1A1
SCHEMBL7078066 0.90 LTA4H (0.50) NR5A1LTA4HALDH2TSHRMEN1
SCHEMBL8007736 0.88 CYP19A1 (0.48) NR5A1LTA4HRARBTSHRNPC1
SCHEMBL1459163 0.86 TSHR (0.48) NR5A1LTA4HRARBTSHRALDH1A1
SCHEMBL11304411 0.84 NR5A1 (0.44) NR5A1LTA4HTSHRMEN1NPC1
SCHEMBL11327014 0.83 RARB (0.40) NR5A1RARBTSHRALDH1A1L3MBTL1
SCHEMBL7175692 0.80 CYP2C19 (0.46) RARBTSHRL3MBTL1
SCHEMBL11505560 0.79 NR5A1 (0.54) NR5A1LTA4HTSHRCNR2SMPD1

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-2003052026-A1 AN ANTIOXIDANT COMPOSITION POLYINOVA AB (SE) 2003-06-26 WO disclosed