SCHEMBL7809216

SCHEMBL7809216

O=C(O)c1ccc(NCc2cc(O)ccc2O)cc1O

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.81
NOX4 Q9NPH5 2/20 0.81
RGS12 O14924 1/20 0.81
ALDH1A1 P00352 1/20 0.81
LCK P06239 1/20 0.81
MAPT P10636 1/20 0.81
CAMKK2 Q96RR4 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
SYK P43405 1/20 0.60
HKDC1 Q2TB90 1/20 0.57

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
Lavendustin C SCHEMBL1821516 0.90 EGFR (1.00) EGFRNOX4RGS12ALDH1A1LCK
Lavendustin C SCHEMBL30569227 0.90 EGFR (1.00) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL1705430 0.87 EGFR (0.75) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27770271 0.86 EGFR (0.60) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27770270 0.86 EGFR (0.60) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL27749184 0.86 EGFR (0.60) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL409990 0.85 EGFR (0.71) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL413095 0.85 EGFR (1.00) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL7809127 0.84 NOX4 (0.78) EGFRNOX4RGS12ALDH1A1LCK
SCHEMBL1424091 0.82 EGFR (0.73) EGFRNOX4RGS12ALDH1A1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN claimed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP claimed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN claimed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP claimed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO claimed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
CN-1114598-C Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 2003-07-16 CN disclosed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
EP-0847391-B1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6313148-B1 FOR THERAPY OF PAIN PAIN ASSOCIATED WITH JOINT CONDITIONS SUCH AS RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POSTOPERATIVE PAIN, POST-PARTUM PAIN, THE PAIN ASSOCIATED WITH DENTAL CONDITIONS SUCH AS DENTAL CARIES AND GINGIVITIS ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6100258-A 6-(N-(5-BROMO-2-(2-METHYLPROP-2-EN-1-YLOXY)BENZYL)-N -ETHYLAMINO)-PYRIDAZIN-3-YLCARBOXYLIC ACID, AND OTHER 3,6-DISUBSTITUTED PYRIDAZINE DERIVATIVES OF SPECIFIED FORMULA; RELIEVING PAIN ZENECA LIMITED (GB) 2000-08-08 US disclosed
CN-1193966-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed