SCHEMBL28553530

SCHEMBL28553530

CCCCCCCCCCCCCCCCCC(CC)OC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH4 P08319 2/20 0.42
ADH7 P40394 2/20 0.42
CTSK P43235 1/20 0.41
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.38
SMPD1 P17405 3/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
MAPT P10636 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL18188022 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18188004 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL76606 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3040229 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18187976 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL276891 0.98 CTSK (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL29655326 0.98 CTSK (0.42) ADH1BADH1CADH1AADH4ADH7
Ethane SCHEMBL28250178 0.96 CTSK (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24654117 0.91 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17123651 0.91 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
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 CN disclosed