SCHEMBL9450348

SCHEMBL9450348

IC/C=C/CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
EPHX1 P07099 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL9450354 1.00 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8270825 0.92
SCHEMBL29860701 0.84 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11234880 0.78 ADH1B (0.32) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11539584 0.77 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28225199 0.77 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28743738 0.77 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11539579 0.77 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28216071 0.76 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10768135 0.75 ADH1B (0.33) 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
US-5254697-A Process for the preparation of haloalkyllactones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed