SCHEMBL29326874

SCHEMBL29326874

CCCCCC[C@@H](C=O)NCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.47
ADH1C P00326 2/20 0.47
ADH1A P07327 2/20 0.47
ADH4 P08319 2/20 0.47
ADH7 P40394 2/20 0.47
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 5/20 0.41
EPHX1 P07099 1/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL20613230 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28101675 0.98 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25137956 0.91 CTSK (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7673015 0.82
SCHEMBL13457609 0.82 CTSK (0.33) CTSKEPHX1TSHR
SCHEMBL17585535 0.82 CTSK (0.33) CTSKEPHX1TSHR
SCHEMBL13936296 0.82 CTSK (0.33) CTSKEPHX1TSHR
SCHEMBL11725606 0.81 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5268267 0.81 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15494046 0.78 ADH1B (0.45) 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
EP-4400491-A1 NOVEL LIPIDS USED FOR NUCLEIC ACID DELIVERY AND LIPID NANOPARTICLE COMPOSITION Themedium Therapeutics Co., Ltd (CN) 2024-07-17 EP disclosed