SCHEMBL9660583

SCHEMBL9660583

CCOc1c(OC)cc(OC(=O)NC)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PGR P06401 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLK1 P53350 1/20 0.43
SLC2A1 P11166 2/20 0.41
ACHE P22303 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
BPTF Q12830 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CDC25B P30305 1/20 0.38
HPGD P15428 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
SCHEMBL9658058 0.92 ALDH1A1 (0.49) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659126 0.90 ALDH1A1 (0.45) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659373 0.90 ALDH1A1 (0.47) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660373 0.90 HSD17B10 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660610 0.88 ALDH1A1 (0.53) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9655015 0.88 ALDH1A1 (0.53) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9659170 0.87 HSD17B10 (0.43) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL9660021 0.86 SLC2A1 (0.43) HSD17B10SLC2A1LMNAMAPTHTT
SCHEMBL9628345 0.85 HTT (0.56) GAAHSD17B10SLC2A1LMNAMAPT
SCHEMBL9657987 0.83 ALDH1A1 (0.50) ALDH1A1PGRGAAPTGS1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed