SCHEMBL9213452

SCHEMBL9213452

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.60
SLC1A2 P43004 1/20 0.60
SLC1A1 P43005 1/20 0.60
NAALAD2 Q9Y3Q0 3/20 0.46
FOLH1 Q04609 2/20 0.46
ENPEP Q07075 2/20 0.46
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
BLM P54132 1/20 0.37
TP53 P04637 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
SCHEMBL3755208 0.82 NAALAD2 (0.45) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1
SCHEMBL30018466 0.82 NAALAD2 (0.45) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1
SCHEMBL2717757 0.81 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1TDP1RNPEP
SCHEMBL6870066 0.81 SLC1A3 (0.62) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1
SCHEMBL10938417 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL443229 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL7314519 0.80 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL21052495 0.79 GABRR1 (0.54) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1
SCHEMBL9858433 0.79 SLC1A3 (0.60) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1
SCHEMBL6631364 0.78 NAALAD2 (0.42) SLC1A3SLC1A2SLC1A1NAALAD2FOLH1

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
EP-0681582-A1 PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PHARMACIA & UPJOHN COMPANY (US) 1995-11-15 EP disclosed