SCHEMBL9019003

SCHEMBL9019003

O=C(O)C(=O)C(CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
PTPN1 P18031 2/20 0.52
GSK3B P49841 2/20 0.52
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
GAA P10253 1/20 0.50
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47

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
SCHEMBL5313340 0.87 TSHR (0.72) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL9124420 0.83 POLB (0.54) TSHRGSK3BKMT2AALDH1A1MAPT
SCHEMBL10958829 0.82 TSHR (0.64) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL10645702 0.80 TSHR (0.62) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL6515546 0.78 TSHR (0.55) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL9019025 0.78 TSHR (0.55) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL7594104 0.77 TSHR (0.58) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL8537118 0.76 PTPN1 (0.66) TSHRPTPN1GSK3BALDH1A1MAPT
SCHEMBL10420172 0.76 TSHR (0.52) TSHRPTPN1GSK3BKMT2AALDH1A1
SCHEMBL6522218 0.75 TSHR (0.51) TSHRPTPN1GSK3BKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed