SCHEMBL16348289

SCHEMBL16348289

CSCCC(=O)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C19 P33261 1/20 0.39
CA2 P00918 1/20 0.37
RNPEP Q9H4A4 1/20 0.35
FOLH1 Q04609 2/20 0.34
ACHE P22303 1/20 0.34
CA1 P00915 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16348290 0.86 RNPEP (0.35) ALDH1A1RNPEPFOLH1NPC1MAPT
SCHEMBL17971010 0.83 TSHR (0.43) ALDH1A1TDP1CYP2C19CA2FOLH1
SCHEMBL16328450 0.82 GABRP (0.37) ALDH1A1RNPEPFOLH1
SCHEMBL16312929 0.77 TSHR (0.43) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL14763545 0.75
SCHEMBL13879345 0.74 ALDH1A1 (0.48) ALDH1A1TDP1CYP2C19CA2RNPEP
SCHEMBL16328449 0.73 ANPEP (0.32) RNPEPFOLH1
SCHEMBL36990 0.73 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL10834211 0.73 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL2532013 0.72

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-7879588-B2 Protein-proteophore complexes ASCENDIS PHARMA A/S (DK) 2011-02-01 US disclosed