SCHEMBL5493928

SCHEMBL5493928

CC(C)(C)C(=O)OCn1cnc2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRK2 P25098 1/20 0.41
GRK1 Q15835 1/20 0.41
SCD O00767 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL3178090 0.86 PRKCA (0.42) PRKCAPRKCDNPC1RAB9ATP53
SCHEMBL663991 0.84 HDAC6 (0.54) NPC1RAB9ATP53ALDH1A1KMT2A
SCHEMBL5500566 0.83 ESR1 (0.47) LMNAHTTNPSR1ALDH1A1KMT2A
SCHEMBL6589975 0.82 SMN1; SMN2 (0.53) NPC1RAB9ALMNAHTTNPSR1
SCHEMBL3431043 0.82 PRKCA (0.41) PRKCAPRKCDNPC1RAB9ATP53
SCHEMBL3188070 0.80 PRKCA (0.38) PRKCAPRKCDNPC1RAB9ATP53
SCHEMBL27221614 0.80 PRKCA (0.38) PRKCAPRKCDNPC1RAB9ATP53
SCHEMBL27221408 0.79 PRKCA (0.37) PRKCAPRKCDNPC1RAB9ATP53
SCHEMBL5499435 0.77 FGFR1 (0.46) LMNAALDH1A1GAAHPGD
SCHEMBL5565180 0.77 TNF (0.43) LMNAHTTNPSR1SCDALDH1A1

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