SCHEMBL6465249

SCHEMBL6465249

CCCCCC(C)NC(=O)/C=C\C(=O)NC(C)CCCCC

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
MLYCD O95822 1/20 0.45
CA1 P00915 2/20 0.44
PTAFR P25105 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 1/20 0.42
MAPK1 P28482 2/20 0.41
FAAH O00519 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11871673 0.98 ADH1B (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2128006 0.91 ADH1B (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9856300 0.90 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11871531 0.87 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL27193048 0.85 ZDHHC20 (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13224427 0.83 ZDHHC20 (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10875526 0.83 ZDHHC20 (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL36597 0.83 ZDHHC20 (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7632691 0.83 ZDHHC20 (0.53) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8765444 0.83 ZDHHC20 (0.53) 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
US-6897256-B1 Polymer dispersions BASF AKTIENGESELLSCHAFT (DE) 2005-05-24 US disclosed