SCHEMBL27770459

SCHEMBL27770459

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.41
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL7803516 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL7803514 0.79 RNPEP (0.48) ALDH1A1RNPEPSLC7A5CACNA2D1CACNB3
SCHEMBL16245141 0.76
SCHEMBL4059430 0.76
SCHEMBL108359 0.73 TSHR (0.50) ALDH1A1TDP1RNPEPSLC7A5ANPEP
SCHEMBL108283 0.72
SCHEMBL8277451 0.72
SCHEMBL16158874 0.72
SCHEMBL4060654 0.72 LMNA (0.39) TDP1ADRA1A
SCHEMBL11138708 0.70 RNPEP (0.50) ALDH1A1RNPEPSLC7A5CACNA2D1CACNB3

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
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN claimed
CN-101494999-A Method for using organic compound GIVAUDAN SA (CH) 2009-07-29 CN disclosed