SCHEMBL9536049

SCHEMBL9536049

COc1nc(-c2cccc3ccccc23)ccc1C(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CD274 Q9NZQ7 14/20 0.44
PDCD1LG2 Q9BQ51 12/20 0.44
PDCD1 Q15116 2/20 0.43
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL9537762 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDCD274PDCD1LG2
SCHEMBL9535997 0.86 CD274 (0.39) CD274PDCD1LG2PDCD1
SCHEMBL9537527 0.86 CD274 (0.47) KDM4EALDH1A1HPGDCD274PDCD1LG2
SCHEMBL9537485 0.79 CD274 (0.47) KDM4EALDH1A1HPGDCD274PDCD1LG2
SCHEMBL9535376 0.78 ALPL (0.43) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL27473924 0.74 MAPT (0.47) KDM4EALDH1A1HPGDCD274PDCD1LG2
SCHEMBL28948611 0.73 ALOX5 (0.52) KDM4EALDH1A1HPGDPPARGPPARA
SCHEMBL9536294 0.73 CD274 (0.42) KDM4ECD274PDCD1LG2PDCD1KMT2A
SCHEMBL9533834 0.70 ALDH1A1 (0.52) KDM4EALDH1A1HPGDCD274PDCD1LG2
SCHEMBL14376212 0.70 ALDH1A1 (0.50) ALDH1A1HPGD

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