SCHEMBL10345463

SCHEMBL10345463

COCCOc1cc2c(cc1OCCOC)CC[C]=C2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
MAOA P21397 2/20 0.34
KDM1A O60341 2/20 0.34
SLC18A2 Q05940 2/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9621060 0.87 MAPT (0.35) KDM4EALDH1A1GLAMAOAHTR2C
SCHEMBL9620992 0.84 HTR2A (0.33) KDM4EALDH1A1GLAMAOASLC18A2
SCHEMBL9620907 0.82 ACHE (0.41) KDM4EALDH1A1GLAMAOAHTR2C
SCHEMBL9620977 0.80 MAOA (0.47) KDM4EALDH1A1GLAMAOA
SCHEMBL9620717 0.79 HRH3 (0.37) MAOA
SCHEMBL9620752 0.78 PDE4B (0.34) KDM4EALDH1A1GLAMAOAHTR2C
SCHEMBL9620922 0.77 PDE4B (0.41) KDM4EALDH1A1GLAMAOAHTR2C
SCHEMBL9620956 0.76 HTR2A (0.32) SLC18A2HTR2CHTR2B
SCHEMBL9621094 0.75 HTR2A (0.39) KDM4EALDH1A1GLAMAOASLC18A2
SCHEMBL9621237 0.73 ACHE (0.39) KDM4EALDH1A1HTR2CHTR2BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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