SCHEMBL18155341

SCHEMBL18155341

CCN(CC1CCCCC1)C1CCC(C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 8/20 0.41
▸ ADH1C P00326 6/20 0.41
▸ ALOX5 P09917 2/20 0.33
▸ ADH4 P08319 2/20 0.32
▸ ADH1B P00325 2/20 0.32
▸ ADH7 P40394 1/20 0.32

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
SCHEMBL13748432 0.82 ADH1A (0.38) ADH1AADH1CADH4
SCHEMBL13082953 0.78 ADH1A (0.42) ADH1AADH1CALOX5
SCHEMBL11638870 0.75 SLC6A2 (0.30) ALOX5
SCHEMBL18602764 0.73 ADH1C (0.35) ADH1AADH1CALOX5
SCHEMBL24754603 0.69 ADH1A (0.36) ADH1AADH1CADH4
SCHEMBL29957210 0.69 ADH1A (0.55) ADH1AADH1CADH4ADH1BADH7
SCHEMBL11903812 0.68 ADH1A (0.41) ADH1AADH1CADH4ADH1BADH7
SCHEMBL11903729 0.68 ADH1B (0.41) ADH1AADH1CADH4ADH1BADH7
SCHEMBL23425524 0.67 TMEM97 (0.37) ADH1AADH1C
SCHEMBL613463 0.66 ADH1A (0.50) ADH1AADH1C

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-9468632-B2 Methods and compositions for targeting cancer stem cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-18 — — US disclosed
Send feedback