SCHEMBL8192098

SCHEMBL8192098

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
BLM P54132 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
BHMT Q93088 3/20 0.31

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
SCHEMBL1767288 0.87 FFAR1 (0.57) FFAR1CPT2TDP1SLC6A2SLC6A4
SCHEMBL4900579 0.73 TET2 (0.38) SLC6A2SLC6A4BLMSLC6A3MEN1
Acetic Acid SCHEMBL29257654 0.71 MEN1 (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL1220051 0.71 FFAR1 (0.39) FFAR1CPT2TDP1BHMT
SCHEMBL28561498 0.70 MEN1 (0.32) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL23576313 0.70 TSHR (0.47) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7412477 0.70 FFAR1 (0.45) FFAR1CPT2TDP1CYP2D6TSHR
SCHEMBL28912263 0.69 ACACB (0.36) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL7773181 0.69 ABCC4 (0.47) FFAR1TDP1SLC6A2SLC6A4BLM
SCHEMBL8338114 0.68 MEN1 (0.41) MEN1KMT2A

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-0922085-B1 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-10-11 EP claimed