SCHEMBL29952616

SCHEMBL29952616

CCN(CC=O)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 11/20 0.52
ADH1C P00326 8/20 0.52
ADH4 P08319 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
TMEM97 Q5BJF2 1/20 0.39
EBP Q15125 1/20 0.39
ADH1B P00325 2/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADH7 P40394 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL29957210 0.98 ADH1A (0.55) ADH1AADH1CADH4SIGMAR1TMEM97
SCHEMBL23469783 0.91
SCHEMBL18841480 0.83 ADH1A (0.48) ADH1AADH1CADH4ADH1BKDM4E
SCHEMBL29957653 0.81 SLC6A2 (0.42) ADH1AADH1C
SCHEMBL29958626 0.81 ADH1A (0.47) ADH1AADH1CADH4SIGMAR1TMEM97
SCHEMBL12955250 0.81 ADH1A (0.47) ADH1AADH1CADH4SIGMAR1TMEM97
SCHEMBL26744543 0.80 ADH1A (0.41) ADH1AADH1C
SCHEMBL383574 0.80 ADH1A (0.46) ADH1AADH1CSIGMAR1TMEM97EBP
SCHEMBL30657708 0.79 ADH1A (0.50) ADH1AADH1CADH4SIGMAR1TMEM97
SCHEMBL3467156 0.78 ADH1A (0.44) 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