SCHEMBL9589388

SCHEMBL9589388

Oc1cccc(Oc2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
MAPT P10636 2/20 0.46
LTA4H P09960 1/20 0.46
KIF11 P52732 1/20 0.46
TEAD1 P28347 1/20 0.45
PPARG P37231 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL6229502 0.98 RAB9A (0.56) RAB9AMAPTLTA4HKIF11TEAD1
SCHEMBL9589666 0.95 RAB9A (0.54) RAB9AMAPTLTA4HKIF11TEAD1
SCHEMBL9589071 0.88 LTA4H (0.52) MAPTLTA4HKIF11TEAD1ALDH1A1
SCHEMBL9798371 0.87 LTA4H (0.54) MAPTLTA4HKIF11TEAD1L3MBTL1
SCHEMBL4043144 0.86 LTA4H (0.53) MAPTLTA4HKIF11TEAD1MRGPRX4
SCHEMBL9827905 0.86 RAB9A (0.55) RAB9AMAPTLTA4HKIF11
SCHEMBL9589615 0.86 LTA4H (0.53) MAPTLTA4HKIF11TEAD1MRGPRX4
SCHEMBL27579381 0.83 LTA4H (0.59) MAPTLTA4HKIF11TEAD1L3MBTL1
SCHEMBL29719326 0.82 CYP3A4 (0.55) MAPTLTA4HALDH1A1CYP2C9
SCHEMBL3182473 0.82 CYP3A4 (0.55) MAPTLTA4HALDH1A1CYP2C9

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-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US disclosed