SCHEMBL7083818

SCHEMBL7083818

O=C=NC1CCCCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CCR2 P41597 10/20 0.37
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
FKBP5 Q13451 1/20 0.31
CRBN Q96SW2 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
SCHEMBL27709486 0.74 ALDH1A1 (0.43) ALDH1A1
SCHEMBL26665489 0.71
SCHEMBL9621803 0.69 CCR2 (0.43) ALDH1A1CCR2HTTL3MBTL1RAB9A
SCHEMBL18794832 0.69
SCHEMBL14857028 0.67 L3MBTL1 (0.37) ALDH1A1CCR2L3MBTL1KDM4E
SCHEMBL6441949 0.66 ALDH1A1 (0.42) ALDH1A1
SCHEMBL15368076 0.65 L3MBTL1 (0.36) ALDH1A1CCR2HTTL3MBTL1KDM4E
SCHEMBL10624750 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL8613410 0.65 CCR2 (0.51) ALDH1A1CCR2HTTRAB9AKDM4E
SCHEMBL5638813 0.65 CCR2 (0.51) ALDH1A1CCR2HTTRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119659-B1 FLOOR COVERING MATERIAL AND METHOD FOR PRODUCING SAME POLYFLOR LTD (GB) 2003-07-30 EP disclosed
EP-1119659-A1 FLOOR COVERING MATERIAL AND METHOD FOR PRODUCING SAME Polyflor Limited (GB) 2001-08-01 EP disclosed
WO-2000022225-A1 FLOOR COVERING MATERIAL AND METHOD FOR PRODUCING SAME POLYFLOR LIMITED (GB) 2000-04-20 WO disclosed