SCHEMBL20074418

SCHEMBL20074418

CCCCCCCCCCCCCCCC(NCCC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
LMNA P02545 1/20 0.37
EPHX1 P07099 2/20 0.36
FAAH O00519 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL11252411 0.91 ADH1B (0.39) DNM1ADH1BADH1CADH1AADH4
SCHEMBL12715979 0.91 ALDH1A1 (0.41) DNM1ADH1BADH1CADH1AADH4
SCHEMBL11299774 0.77 OPRM1 (0.42) DNM1ADH1BADH1CADH1AADH4
SCHEMBL9214863 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL9289282 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL25072163 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL9205136 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL28277199 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL28277183 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4
SCHEMBL28277187 0.77 ADH1B (0.52) DNM1ADH1BADH1CADH1AADH4

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-2018071679-A1 N-ACYLETHANOLAMIDE DERIVATIVES AND USES THEREOF CARNOT, LLC (US) 2018-04-19 WO disclosed