SCHEMBL9589488

SCHEMBL9589488

Oc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
NR1H2 P55055 1/20 0.53
BAX Q07812 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MAPK14 Q16539 1/20 0.47
CETP P11597 5/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NLRP1 Q9C000 1/20 0.46
NOD2 Q9HC29 1/20 0.46
BRD4 O60885 1/20 0.44
SCN9A Q15858 3/20 0.44
F2 P00734 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
SCHEMBL9588167 1.00 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9589995 1.00 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9590608 0.96 LTA4H (0.53) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9588433 0.91 MAPK14 (0.46) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9589214 0.88 NLRP3 (0.48) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9588894 0.87 RAB9A (0.46) ESR1ESR2MAPK14CETPF10
SCHEMBL9588822 0.87 RAB9A (0.46) ESR1ESR2MAPK14CETPF10
SCHEMBL1277201 0.86 NLRP3 (0.49) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL9589894 0.86 NLRP3 (0.49) LTA4HNR1H2BAXMEN1KMT2A
SCHEMBL5670014 0.85 CETP (0.54) LTA4HMEN1KMT2AMAPK14CETP

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