SCHEMBL19684775

SCHEMBL19684775

CCCCCCCCCCCCC(C)CCCCCCCCCCC(C)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.50
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
ADH7 P40394 1/20 0.50
ACE2 Q9BYF1 1/20 0.48
OPRM1 P35372 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
LMNA P02545 2/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39

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
SCHEMBL22236936 0.93 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL871690 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8571264 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11851660 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24631739 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL23340664 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9203991 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6898195 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL668931 0.93 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4084643 0.93 ADH1B (0.56) 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-2017207583-A2 METHODS AND SYSTEMS FOR METABOLITE AND/OR LIPID-BASED DETECTION OF COLORECTAL CANCER AND/OR ADENOMATOUS POLYPS UNIVERSAL DIAGNOSTICS, S.L (ES) 2017-12-07 WO disclosed