SCHEMBL4582121

SCHEMBL4582121

CCCCC(C)CC(C)(C)C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSK P43235 2/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA2 P00918 6/20 0.33
ACE2 Q9BYF1 1/20 0.33
MAPK1 P28482 1/20 0.33
CA1 P00915 3/20 0.32
SLC15A1 P46059 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
FDPS P14324 1/20 0.30
PDF Q9HBH1 1/20 0.30

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
SCHEMBL5384841 0.78
SCHEMBL18681323 0.75 DNM1 (0.36) TSHRSMN1; SMN2CA2ACE2MAPK1
SCHEMBL1784525 0.73 CTSK (0.36) TSHRSMN1; SMN2CTSKADH1BADH1C
SCHEMBL3689440 0.73 CA2 (0.58) TSHRSMN1; SMN2CTSKCA2MAPK1
Hexane SCHEMBL27310611 0.73 DNM1 (0.40) TSHRCA2ACE2MAPK1CA1
SCHEMBL8370721 0.71 OPRM1 (0.37) CA2ACE2MAPK1CA1SLC15A1
SCHEMBL28895707 0.71 CA2 (0.37) TSHRCA2ACE2MAPK1CA1
SCHEMBL1069998 0.71
SCHEMBL21925336 0.71 DNM1 (0.33) CA2ACE2MAPK1CA1MAPT
SCHEMBL1974644 0.71 DNM1 (0.33) CTSKCA2ACE2MAPK1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032913-A1 Masking of mineral oil odor and fragrancing of mineral oils SYMRISE GMBH & CO. KG (DE) 2008-02-07 US claimed
EP-1884555-A2 Masking mineral oil smell and scenting of mineral oils Symrise GmbH & Co. KG (DE) 2008-02-06 EP claimed