SCHEMBL1979969

SCHEMBL1979969

CC(C)CC(O)C(=O)OC(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.46
FOLH1 Q04609 6/20 0.45
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CACNA2D1 P54289 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
MME P08473 1/20 0.33
TP53 P04637 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL8742085 0.82 RNPEP (0.40) LAP3FOLH1RNPEPSLC7A5ALDH1A1
SCHEMBL16864886 0.80 LAP3 (0.50) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL882633 0.79 TSHR (0.40) LAP3FOLH1RNPEPSLC7A5MME
SCHEMBL19301334 0.79 FOLH1 (0.50) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL17027400 0.79 TSHR (0.40) LAP3FOLH1RNPEPSLC7A5MME
SCHEMBL16286566 0.77 FOLH1 (0.49) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL2482032 0.77 FOLH1 (0.49) LAP3FOLH1RNPEPSLC7A5CACNA2D1
SCHEMBL361290 0.75 KLK7 (0.54) ALDH1A1
SCHEMBL361291 0.75 KLK7 (0.54) ALDH1A1
SCHEMBL8613929 0.75 FOLH1 (0.47) LAP3FOLH1RNPEPSLC7A5CACNA2D1

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-20110256082-A1 Antiperspirants and Deodorants WELLS FARGO BANK, N.A. 2011-10-20 US disclosed
US-20110150955-A1 Products and Methods for Reducing Malodor from the Pudendum LUME DEODORANT, LLC 2011-06-23 US disclosed