SCHEMBL27851024

SCHEMBL27851024

CC(C)=CCC1(CCCCC=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 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
SCHEMBL27832659 0.95 TSHR (0.32) TSHRHIF1A
SCHEMBL27832720 0.93 TSHR (0.31) TSHR
SCHEMBL2440440 0.93 TSHR (0.31) TSHR
SCHEMBL27851010 0.87 ALDH1A1 (0.31)
SCHEMBL2440397 0.80
SCHEMBL2499890 0.80
SCHEMBL2441751 0.79 GAA (0.32)
SCHEMBL2439256 0.79 GLA (0.31)
SCHEMBL1698192 0.78 SQLE (0.35) TSHR
SCHEMBL1698013 0.77 SQLE (0.34)

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
CN-102300550-A Perfume systems 2011-12-28 CN claimed