SCHEMBL9640734

SCHEMBL9640734

CCCCN(CCCC)CCCN(CC(C)O)CC(C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
KDM5A P29375 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
PHF8 Q9UPP1 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
OPRD1 P41143 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
SCHEMBL9641265 0.95 KDM4E (0.37) KDM4EMAPK1TDP1CA12CA1
SCHEMBL440058 0.95 KDM4E (0.39) KDM4EMAPK1TDP1CA12CA1
SCHEMBL9640755 0.93 DNM1 (0.36) KDM4EMAPK1TDP1CA12CA1
SCHEMBL11583088 0.93 KDM5A (0.39) KDM4EMAPK1TDP1CA12CA1
SCHEMBL9641282 0.91 DNM1 (0.39) CA12CA1CA9KDM5APHF8
SCHEMBL9641806 0.91 DNM1 (0.39) CA12CA1CA9KDM5APHF8
SCHEMBL9640548 0.91 DNM1 (0.39) CA12CA1CA9KDM5APHF8
SCHEMBL10989513 0.91 DNM1 (0.39) CA12CA1CA9KDM5APHF8
SCHEMBL9641784 0.91 DNM1 (0.39) CA12CA1CA9KDM5APHF8
SCHEMBL9640875 0.91 TSHR (0.33) KDM4EMAPK1TDP1KMT2ATSHR

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
US-4016115-A Unsaturated polyester resin composition containing titanium dioxide TOYO BOSEKI KABUSHIKI KAISHA (JA) 1977-04-05 US claimed
US-5128408-A Quaternized amino polyurethane- or polyurethaneurea-polysiloxanes treated with heparin TOYO BOSEKI KABUSHIKI KAISHA (JP) 1992-07-07 US disclosed