SCHEMBL2331623

SCHEMBL2331623

O=Cc1cc(O)c(O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.56
TDP1 Q9NUW8 2/20 0.54
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PIM1 P11309 1/20 0.41
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL31328379 1.00 ERN1 (0.56) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL31328374 1.00 ERN1 (0.56) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL3377931 0.88 ERN1 (0.54) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL1053807 0.84 ERN1 (0.50) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL25240603 0.83 ERN1 (0.59) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL27324134 0.82 ERN1 (0.44) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL27324140 0.82 ERN1 (0.44) ERN1TDP1TRIM24TRIM33PIM1
SCHEMBL8388616 0.82 ERN1 (0.50) ERN1TDP1TRIM24TRIM33PIM1
SCHEMBL13448073 0.82 ERN1 (0.48) ERN1TDP1HPGDTSHRHSD17B10
SCHEMBL3227837 0.82 ERN1 (0.50) ERN1TDP1HPGDTSHRHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393277-B 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2023-01-03 CN claimed
CN-111393277-A 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2020-07-10 CN claimed
EP-2358338-B1 DYE, COMPRISING SPECIAL HALOGEN SUBSTITUTED PYROCATECHOL ALDEHYDES AND SPECIAL CH-ACIDIC COMPOUNDS HENKEL AG & CO KGAA (DE) 2013-10-16 EP claimed
EP-2358338-A2 DYE, COMPRISING SPECIAL HALOGEN-SUBSTITUTED CATECHOL-ALDEHYE AND SPECIAL CH-ACID COMPOUNDS Henkel AG & Co. KGaA (DE) 2011-08-24 EP claimed
WO-2010072511-A2 DYE, COMPRISING SPECIAL HALOGEN-SUBSTITUTED CATECHOL-ALDEHYE AND SPECIAL CH-ACID COMPOUNDS HENKEL AG & CO. KGAA (DE) 2010-07-01 WO claimed
WO-2023227737-A9 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-03-07 WO disclosed
WO-2023227737-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-30 WO disclosed
WO-2023227737-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-30 WO disclosed
CN-111393277-B 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2023-01-03 CN disclosed
CN-111393277-A 4-butyl polyhydroxy benzophenone compound derivative and application thereof 山西医科大学 2020-07-10 CN disclosed
CN-104271567-A Substituted pyrazole-containing compounds and their use as pesticides BASF SE 2015-01-07 CN disclosed
EP-2358338-B1 DYE, COMPRISING SPECIAL HALOGEN SUBSTITUTED PYROCATECHOL ALDEHYDES AND SPECIAL CH-ACIDIC COMPOUNDS HENKEL AG & CO KGAA (DE) 2013-10-16 EP disclosed
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
EP-0416410-B1 Piperaziniocephalosporins SHIONOGI & CO (JP) 1994-11-30 EP disclosed
CN-1035828-A Benzo benzodioxole derivatives and preparation method thereof TANABE SEIYAKU CO (JP) 1989-09-27 CN disclosed
US-3976695-A Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-08-24 US disclosed