SCHEMBL20366018

SCHEMBL20366018

CCCCCCC(NC=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.56
ADH1C P00326 1/20 0.56
ADH1A P07327 1/20 0.56
ADH4 P08319 1/20 0.56
ADH7 P40394 1/20 0.56
MAPT P10636 1/20 0.53
GPR84 Q9NQS5 7/20 0.50
NOD1 Q9Y239 5/20 0.50
FFAR1 O14842 1/20 0.50
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
SLC6A5 Q9Y345 1/20 0.47
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL28318789 1.00 ADH1B (0.56) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8628188 0.92 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8628191 0.92 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17706682 0.84 CHRM1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14819043 0.84 CHRM1 (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17951698 0.83 ADH1B (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13350892 0.82 ADH1B (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13351138 0.82 ADH1B (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18583123 0.81 LMNA (0.44) GPR84NOD1FFAR1
SCHEMBL17024089 0.80 GPR84 (0.57) MAPTGPR84NOD1FFAR1LCK

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-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed