SCHEMBL5500566

SCHEMBL5500566

CC(C)(C)C(=O)OCn1cnc2cc(O)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TNF P01375 3/20 0.43
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
POLB P06746 4/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL5565180 0.90 TNF (0.43) ALDH1A1TNFSMN1; SMN2HDAC6POLB
SCHEMBL13646422 0.85 TNF (0.56) ALDH1A1TNFMAPTMEN1KMT2A
SCHEMBL6589975 0.84 SMN1; SMN2 (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5493928 0.83 PRKCA (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2HDAC6
SCHEMBL9601170 0.81 TRPA1 (0.47) ALDH1A1TNFMAPTMEN1KMT2A
SCHEMBL666304 0.80 HDAC6 (0.54) ALDH1A1TNFMAPTMEN1KMT2A
SCHEMBL12388859 0.79 TNF (0.42) ALDH1A1TNFMAPTSMN1; SMN2HDAC6
SCHEMBL663991 0.78 HDAC6 (0.54) ALDH1A1TNFKMT2AHDAC6POLB
SCHEMBL9253194 0.78 LMNA (0.43) TNFSMN1; SMN2HDAC6LMNA
SCHEMBL9252072 0.78 TNF (0.43) TNFSMN1; SMN2HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005470-B1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2007-08-01 EP disclosed
EP-0912557-B1 OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2003-07-09 EP disclosed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US disclosed
US-6265411-B1 ANGIOGENESIS INHIBITOR ZENECA LIMITED (GB) 2001-07-24 US disclosed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP disclosed
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed