SCHEMBL4900579

SCHEMBL4900579

C=CC(C)CCCC(C)(O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACLY P53396 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIK1 P39086 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
Acetic Acid SCHEMBL29257654 0.83 MEN1 (0.36) MEN1KMT2ACYP3A4ALOX15ACACB
SCHEMBL8338114 0.79 MEN1 (0.41) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL29192 0.79 MEN1 (0.41) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL29473919 0.79 MEN1 (0.41) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL113015 0.79 MEN1 (0.41) MEN1KMT2ACYP3A4ALOX15ALDH1A1
SCHEMBL1767288 0.78 FFAR1 (0.57) MEN1KMT2ACYP3A4ALOX15ACACB
SCHEMBL28561498 0.78 MEN1 (0.32) MEN1KMT2ACYP3A4ALOX15ACACB
SCHEMBL28557153 0.78 MEN1 (0.40) MEN1KMT2ACYP3A4ALOX15
SCHEMBL28130263 0.78 MEN1 (0.40) MEN1KMT2ACYP3A4ALOX15ALDH1A1
Formic Acid SCHEMBL29257664 0.77 MEN1 (0.37) MEN1KMT2ACYP3A4ALOX15ALDH1A1

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-20080050326-A1 Deodorant composition comprising linalool and dihydromyrcenol PROCTER & GAMBLE COMPANY, THE 2008-02-28 US disclosed