SCHEMBL9629353

SCHEMBL9629353

COc1c(C)c(OC(C)=O)c2cc(C)c(C)cc2c1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.53
POLB P06746 1/20 0.44
HTT P42858 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TNFSF11 O14788 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 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
SCHEMBL9641857 0.91 ABCB11 (0.62) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9629360 0.88 ABCB11 (0.45) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9627511 0.88 ABCB11 (0.49) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9627547 0.83 ABCB11 (0.59) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9641584 0.83 ABCB11 (0.54) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9629451 0.82 KDM4E (0.54) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9629374 0.81 ABCB11 (0.83) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9627620 0.79 KDM4E (0.56) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9627616 0.79 KDM4E (0.54) ABCB11POLBHTTKDM4EHSD17B10
SCHEMBL9628214 0.78 ABCB11 (0.78) ABCB11POLBHTTKDM4EHSD17B10

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 5 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
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP 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