SCHEMBL9641850

SCHEMBL9641850

COc1c(OC)c(OC(C)=O)c2ccc(Cl)cc2c1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.83
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 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

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
SCHEMBL9642000 0.94 ABCB11 (0.83) ABCB11PDE4APDE4BPDE4CPDE4D
Lonapalene SCHEMBL120134 0.91 ABCB11 (1.00) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642961 0.90 ABCB11 (0.76) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9641851 0.89 ABCB11 (0.97) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642681 0.89 ABCB11 (0.97) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9628005 0.89 ABCB11 (0.74) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642189 0.85 ABCB11 (0.59) ABCB11MAPTTUBB4ATUBBTUBA3C
SCHEMBL9641621 0.85 ABCB11 (0.59) ABCB11TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9642650 0.85 ABCB11 (0.59) ABCB11KDM4EGAAHSD17B10TUBB4A
Acetic Acid SCHEMBL6009773 0.84 ABCB11 (0.58) ABCB11MAPTKDM4EHSD17B10TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP claimed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US claimed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP claimed
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed