SCHEMBL9535129

SCHEMBL9535129

CCCCOC(=O)C(OC)c1ccc(-c2ccc3ccccc3c2)nc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 4/20 0.37
ALPL P05186 1/20 0.37
PLA2G2A P14555 2/20 0.37
DHODH Q02127 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
DUSP3 P51452 1/20 0.36
PPARD Q03181 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CETP P11597 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NFKB1 P19838 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB2 Q00653 2/20 0.35

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
SCHEMBL9534841 0.89 MEN1 (0.41) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL9533905 0.82 ALPL (0.43) PPARGPPARAALPLSLC6A2SLC6A4
SCHEMBL9535412 0.81 PPARG (0.41) PPARGPPARAALPLCDC25ACDC25B
SCHEMBL9534853 0.79 PPARG (0.40) PPARGPPARAALPLCDC25ACDC25B
SCHEMBL9537548 0.78 PTGER3 (0.53) KDM4EALDH1A1HPGDTSHR
SCHEMBL9534377 0.78 MEN1 (0.42) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL20719656 0.76 MEN1 (0.41) ALPLCDC25ACDC25BCDC25CDUSP3
SCHEMBL9535376 0.74 ALPL (0.43) PPARGPPARAALPLSLC6A2SLC6A4
SCHEMBL20719027 0.73 AKR1C3 (0.44) PPARGPPARAALPLSLC6A2SLC6A4
SCHEMBL20719450 0.72 CTSA (0.41) ALPLSLC6A2SLC6A4SLC6A3KDM4E

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