SCHEMBL7803516

SCHEMBL7803516

CC(C)C[C@@H](O)[C@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.48
SLC7A5 Q01650 1/20 0.48
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
CPA1 P15085 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
LAP3 P28838 2/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL7803514 1.00 RNPEP (0.48) RNPEPSLC7A5TP53ALDH1A1SLC1A3
SCHEMBL12951566 0.89 TP53 (0.47) RNPEPSLC7A5TP53SLC1A3SLC1A2
SCHEMBL6409663 0.84 TP53 (0.43) RNPEPSLC7A5TP53ALDH1A1SLC1A3
SCHEMBL9581116 0.82 NAALAD2 (0.45) RNPEPSLC7A5TP53
SCHEMBL11138708 0.81 RNPEP (0.50) RNPEPSLC7A5TP53ALDH1A1SLC1A3
SCHEMBL27770459 0.79 KISS1R (0.41) RNPEPSLC7A5ALDH1A1SLC1A3SLC1A2
SCHEMBL18562028 0.76
SCHEMBL5499838 0.76
SCHEMBL7665622 0.76
SCHEMBL667584 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 WO disclosed