SCHEMBL9536313

SCHEMBL9536313

COc1nc(-c2ccc3ccccc3c2)ccc1C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9535007 0.88 MEN1 (0.50) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9534914 0.84 SLC6A2 (0.47) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL20719845 0.79 SLC6A2 (0.49) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL9533858 0.78 KDM4E (0.39) DHODHKDM4EALDH1A1MAPTHPGD
SCHEMBL20718975 0.74 CD274 (0.39) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL20719469 0.72 MEN1 (0.44) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL2706964 0.70 CES2 (0.58) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL20719450 0.70 CTSA (0.41) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL9535376 0.70 ALPL (0.43) KDM4EALDH1A1MAPTHPGDSLC6A2
SCHEMBL20719844 0.70 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHPGDGLA

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