SCHEMBL9621055

SCHEMBL9621055

COc1cc2c[c]ccc2c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.47
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
KDM4E B2RXH2 3/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL9739745 0.80 MAPT (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2254051 0.77 KDM4E (0.47) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4588144 0.75 ALDH1A1 (0.41) NPC1SMN1; SMN2KDM4ECA9ALDH1A1
SCHEMBL2889415 0.73 MAOA (0.58) MAOANPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL27423013 0.72 MAOA (0.56) MAOANPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL386606 0.70 NQO1 (0.44) NPC1SMN1; SMN2KDM4ECA9ALDH1A1
SCHEMBL26658607 0.70 MAOA (0.46) MAOANPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL27572009 0.69 MAOA (0.49) MAOANPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL9164412 0.69 MAPT (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2905022 0.69 GAK (0.47) MAOANPC1SMN1; SMN2TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4997836-A Inhibitor of platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-05 US disclosed
EP-0369810-A2 PAF antagonists as anti-hyperendothelinemia agents Takeda Chemical Industries, Ltd. (JP) 1990-05-23 EP disclosed
EP-0368670-A1 Trisubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-05-16 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed