SCHEMBL9686689

SCHEMBL9686689

CCCCCCCCCCCCCCC(C)NC(C)=O.[NaH]

nearest known ligand 0.51

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
PLA2G2C Q5R387 2/20 0.47
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
FAAH O00519 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G2A P14555 1/20 0.45
MLYCD O95822 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
CA1 P00915 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL5135897 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2485134 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19426005 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7217246 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11311310 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13683342 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2483687 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15177342 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1805743 0.96 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2760205 0.90 TAS1R3 (0.50) 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
EP-0479370-A2 Liquid detergent compositions UNILEVER N.V. (NL) 1992-04-08 EP disclosed