SCHEMBL9621166

SCHEMBL9621166

COc1cc2c(c(OC)c1OC)CC[C]=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACHE P22303 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA9 Q16790 1/20 0.34
GSK3B P49841 2/20 0.34
DRD1 P21728 1/20 0.34
ATR Q13535 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9620797 0.79 PKM (0.42) TDP1MAPTPOLBMEN1KMT2A
SCHEMBL9620977 0.73 MAOA (0.47) MAPTMEN1KMT2AKDM4EACHE
SCHEMBL6782949 0.70 TUBB4A (0.40) ATMTDP1MAPTPOLBMEN1
SCHEMBL9620923 0.70 ALDH1A1 (0.41) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL3944592 0.69 MAPT (0.40) ATMTDP1MAPTPOLBMEN1
SCHEMBL27975495 0.69 ATM (0.38) ATMTDP1MAPTPOLBMEN1
SCHEMBL6793154 0.69 LMNA (0.40) ATMTDP1MAPTPOLBMEN1
SCHEMBL3700888 0.68 KDM4E (0.58) ATMTDP1MAPTPOLBMEN1
SCHEMBL9620908 0.67 ATM (0.42) ATMTDP1MAPTPOLBMEN1
SCHEMBL9620937 0.67 KDM4E (0.45) MAPTKDM4EACHECYP3A4DRD1

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