SCHEMBL7759079

SCHEMBL7759079

[CH]=C/C=C/CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CHRM5 P08912 2/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL7755184 1.00 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7758393 1.00 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7755188 1.00 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7759082 1.00 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7758392 1.00 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7755214 0.98
SCHEMBL7755205 0.98
SCHEMBL28216071 0.85 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9093728 0.76 ADH1A (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9093719 0.76 ADH1A (0.41) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001066611-A1 METHOD FOR CARRYING OUT THE RARE EARTH METAL-CATALYZED SYNTHESIS OF POLYACRYLATES HAVING A HIGH ISOTACTICITY Röhm GmbH & Co. KG (DE) 2001-09-13 WO disclosed