SCHEMBL29957210

SCHEMBL29957210

CCN(CC=O)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 11/20 0.55
ADH1C P00326 8/20 0.55
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
EBP Q15125 1/20 0.41
ADH1B P00325 2/20 0.41
ADH4 P08319 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADH7 P40394 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL29952616 0.98 ADH1A (0.52) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL23469783 0.89
SCHEMBL18841480 0.86 ADH1A (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL12955250 0.83 ADH1A (0.47) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL30657708 0.82 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL612572 0.81 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL356022 0.81 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL613463 0.81 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL23073672 0.81 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL150343 0.81 ADH1A (0.50) ADH1AADH1CSIGMAR1TMEM97EBP

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed