SCHEMBL9643178

SCHEMBL9643178

COc1c(OC)c(OC(C)=O)c2cc(C)ccc2c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.57
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PREP P48147 2/20 0.37
CELA1 Q9UNI1 1/20 0.37
MEN1 O00255 1/20 0.36
CYP3A4 P08684 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
SCHEMBL9642660 0.94 ABCB11 (0.57) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9644167 0.91 ABCB11 (0.69) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642480 0.85 ABCB11 (0.57) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9641746 0.84 ABCB11 (0.40) ABCB11MAPTKDM4EHSD17B10TP53
SCHEMBL9643570 0.84 ABCB11 (0.40) ABCB11MAPTKDM4EHSD17B10TP53
SCHEMBL9641841 0.84 ABCB11 (0.40) ABCB11MAPTKDM4EHSD17B10HTT
SCHEMBL9643201 0.84 ABCB11 (0.56) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642000 0.84 ABCB11 (0.83) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9643136 0.84 ABCB11 (0.56) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9627547 0.83 ABCB11 (0.59) ABCB11PDE4APDE4BPDE4CPDE4D

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 4 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 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