SCHEMBL6523071

SCHEMBL6523071

[CH]1CCCCC(CCCC2CCC[CH]CCCC2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
SIGMAR1 Q99720 4/20 0.43
CEL P19835 3/20 0.36
SLC18A3 Q16572 1/20 0.35
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
EPHX1 P07099 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL6523849 0.95 CYP1A2 (0.52) CYP1A2SIGMAR1CELSLC18A3KDM1A
SCHEMBL4358424 0.95 CYP1A2 (0.52) CYP1A2SIGMAR1CELSLC18A3KDM1A
SCHEMBL6518515 0.95 CYP1A2 (0.52) CYP1A2SIGMAR1CELSLC18A3KDM1A
SCHEMBL6522113 0.95 CYP1A2 (0.52) CYP1A2SIGMAR1CELSLC18A3KDM1A
SCHEMBL6525950 0.95 CYP1A2 (0.52) CYP1A2SIGMAR1CELSLC18A3KDM1A
SCHEMBL6523214 0.90 CYP1A2 (0.41) CYP1A2SIGMAR1CELSLC18A3EPHX1
SCHEMBL6517968 0.90 CYP1A2 (0.39) CYP1A2SIGMAR1
SCHEMBL6524227 0.84 CYP1A2 (0.44) CYP1A2SIGMAR1
SCHEMBL6516930 0.84 CYP1A2 (0.44) CYP1A2SIGMAR1
SCHEMBL6520301 0.84 CYP1A2 (0.44) CYP1A2SIGMAR1

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-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed