SCHEMBL9643201

SCHEMBL9643201

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.56
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
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 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
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

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
SCHEMBL9642856 0.94 ABCB11 (0.56) ABCB11CA12CA9PDE4APDE4B
SCHEMBL9643968 0.91 ABCB11 (0.67) ABCB11CA12CA9PDE4APDE4B
SCHEMBL9642480 0.84 ABCB11 (0.57) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9643178 0.84 ABCB11 (0.57) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9643136 0.82 ABCB11 (0.56) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642000 0.82 ABCB11 (0.83) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9656401 0.82 CA12 (0.42) CA12CA9HTTMAPTKDM4E
SCHEMBL9642102 0.80 ABCB11 (0.54) ABCB11PDE4APDE4BPDE4CPDE4D
SCHEMBL9642268 0.80 ABCB11 (0.55) ABCB11CA12CA9PDE4APDE4B
SCHEMBL9642501 0.79 PDE4A (0.53) 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