SCHEMBL9629374

SCHEMBL9629374

COc1c(C)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.83
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37

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
SCHEMBL9627469 0.97 ABCB11 (0.83) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9628214 0.97 ABCB11 (0.78) ABCB11MAPTHTTKDM4ETP53
Lonapalene SCHEMBL120134 0.91 ABCB11 (1.00) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9642681 0.89 ABCB11 (0.97) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9641851 0.89 ABCB11 (0.97) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9628005 0.89 ABCB11 (0.74) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9629359 0.89 ABCB11 (0.69) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9657679 0.87 ABCB11 (0.62) ABCB11KDM4EHSD17B10TUBB4ATUBB
SCHEMBL9627547 0.85 ABCB11 (0.59) ABCB11MAPTHTTKDM4ETP53
SCHEMBL9713544 0.85 ABCB11 (0.59) ABCB11MAPTTUBB4ATUBBTUBA3C

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