SCHEMBL9534853

SCHEMBL9534853

CCOC(C(=O)O)c1ccc(-c2ccc3ccccc3c2)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ALPL P05186 1/20 0.40
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
CTRC Q99895 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 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
SCHEMBL9535412 0.91 PPARG (0.41) PPARGPPARAALPLCDC25ACDC25B
SCHEMBL9533905 0.89 ALPL (0.43) PPARGPPARAALPLCTRCSLC6A2
SCHEMBL9534841 0.84 MEN1 (0.41) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL9535376 0.82 ALPL (0.43) PPARGPPARAALPLCTRCSLC6A2
SCHEMBL9534377 0.81 MEN1 (0.42) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL20719027 0.81 AKR1C3 (0.44) PPARGPPARAALPLCTRCSLC6A2
SCHEMBL20719656 0.79 MEN1 (0.41) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL9535129 0.79 PPARG (0.37) PPARGPPARAALPLCDC25ACDC25B
SCHEMBL20719450 0.78 CTSA (0.41) ALPLCTRCSLC6A2SLC6A4SLC6A3
SCHEMBL20718980 0.75 PTGER3 (0.56) ALPLCTRCSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532531-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-03-24 EP disclosed
WO-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed