SCHEMBL9620977

SCHEMBL9620977

COc1cc2c(cc1OC)CC[C]=C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 2/20 0.45
CYP3A4 P08684 1/20 0.45
CHRNA7 P36544 2/20 0.38
MAOB P27338 2/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 2/20 0.36
ACHE P22303 1/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL9620937 0.89 KDM4E (0.45) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9621149 0.87 KDM4E (0.44) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9620998 0.82 PDE4A (0.39) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9620907 0.80 ACHE (0.41) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9621037 0.80 CYP3A4 (0.48) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL10345463 0.80 KDM4E (0.34) MAOAKDM4EALDH1A1GLA
SCHEMBL9621177 0.80 SIRT6 (0.40) KDM4EALDH1A1MAPTCYP3A4MEN1
SCHEMBL9620947 0.80 PDE4D (0.42) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9621060 0.79 MAPT (0.35) MAOAKDM4EALDH1A1GLAMAPT
SCHEMBL9620922 0.78 PDE4B (0.41) MAOAKDM4EALDH1A1GLAMAPT

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
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-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