SCHEMBL9629360

SCHEMBL9629360

COc1c(C)c(OC(C)=O)c2cc(C)c(C)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.45
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LDHA P00338 2/20 0.38
LDHB P07195 2/20 0.38
AKR1B1 P15121 1/20 0.38
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 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
SCHEMBL9641584 0.89 ABCB11 (0.54) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9629353 0.88 ABCB11 (0.53) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9627511 0.87 ABCB11 (0.49) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9641857 0.83 ABCB11 (0.62) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9629359 0.81 ABCB11 (0.69) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9627945 0.81 KDM4E (0.54) ABCB11HTTMAPTKDM4EHSD17B10
SCHEMBL9656701 0.79 TDP1 (0.38) MAPTPOLBLDHALDHBAKR1B1
SCHEMBL9627800 0.77 ABCB11 (0.43) ABCB11MAPTKDM4EHSD17B10GAA
SCHEMBL9656481 0.76 TDP1 (0.48) MAPTKDM4EPDE4APDE4BPDE4C
SCHEMBL14087742 0.76 ABCB11 (0.41) ABCB11HTTMAPTKDM4EHSD17B10

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-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
EP-0282056-A2 Naphthalene 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