SCHEMBL2173059

SCHEMBL2173059

CCCCCCN(CC)CCNC=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.61
ADH1B P00325 3/20 0.61
ADH7 P40394 3/20 0.61
ADH1C P00326 3/20 0.61
ADH4 P08319 2/20 0.61
EPHX1 P07099 1/20 0.61
KCNH2 Q12809 9/20 0.41
PAOX Q6QHF9 1/20 0.41
TSHR P16473 2/20 0.39
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CACNA1F O60840 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL23471026 0.98 ADH1A (0.57) ADH1AADH1BADH7ADH1CADH4
SCHEMBL2170369 0.93 ADH1A (0.67) ADH1AADH1BADH7ADH1CADH4
SCHEMBL29037600 0.91 ADH1A (0.63) ADH1AADH1BADH7ADH1CADH4
SCHEMBL27269307 0.91 ADH1A (0.63) ADH1AADH1BADH7ADH1CADH4
SCHEMBL10988163 0.85 ADH1A (0.72) ADH1AADH1BADH7ADH1CADH4
SCHEMBL27415467 0.84 EPHX1 (0.55) ADH1AADH1BADH7ADH1CADH4
SCHEMBL5257037 0.84 ADH1B (0.60) ADH1AADH1BADH7ADH1CADH4
SCHEMBL28426636 0.82 ALDH1A1 (0.54) ADH1AADH1BADH7ADH1CADH4
SCHEMBL93173 0.82 ADH1B (0.52) ADH1AADH1BADH7ADH1CADH4
SCHEMBL5256159 0.81 ADH1B (0.65) ADH1AADH1BADH7ADH1CADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346474-A1 PULVERULENT STYLING COMPOSITION Henkel AG & Co. KGaA (DE) 2011-07-27 EP disclosed
WO-2010054980-A1 PULVERULENT STYLING COMPOSITION HENKEL AG & CO. KGAA (DE) 2010-05-20 WO disclosed