SCHEMBL9613702

SCHEMBL9613702

C=CC(C=O)CCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH4 P08319 2/20 0.44
ADH7 P40394 2/20 0.44
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.38
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FDPS P14324 3/20 0.38
FFAR1 O14842 1/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 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
SCHEMBL11870095 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3409510 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6406439 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1881575 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4939881 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL361635 0.98 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL875561 0.91
SCHEMBL10432807 0.86 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9576172 0.86 ADH1B (0.50) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6339666 0.86 TSHR (0.46) 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-5137954-A Internal plasticizing by c7 to c15 aniphatic aldehyde groups; external ester plasticizer safety glass MONSANTO COMPANY (US) 1992-08-11 US disclosed