SCHEMBL9533858

SCHEMBL9533858

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHODH Q02127 3/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ CYP26A1 O43174 1/20 0.36
▸ CTRC Q99895 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL9534859 0.89 MEN1 (0.41) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9536313 0.78 DHODH (0.42) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9537088 0.76 SLC22A12 (0.44) KDM4EALDH1A1MAPTHPGDALPL
SCHEMBL9538404 0.76 MEN1 (0.41) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9538570 0.75 ALPL (0.40) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL9534770 0.75 PTGER3 (0.53) ALDH1A1HPGDENPP2
SCHEMBL9534327 0.75 MEN1 (0.40) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL9538972 0.74 ALPL (0.44) KDM4EALDH1A1MAPTHPGDALPL
SCHEMBL20719156 0.73 NPC1 (0.43) KDM4EALDH1A1MAPTHPGDALPL
SCHEMBL20719545 0.72 NPC1 (0.40) KDM4EALDH1A1MAPTHPGDMEN1

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
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