SCHEMBL7776387

SCHEMBL7776387

CCCC1CCC1(CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL12988135 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6857778 0.75 MME (0.33)
SCHEMBL5792697 0.75
SCHEMBL6245636 0.74 ALDH1A1 (0.33) ALDH1A1MAPK1TP53NFKB1CYP2C19
SCHEMBL13464531 0.73 ARG1 (0.35) ALDH1A1
SCHEMBL8767988 0.72 ARG1 (0.31) CYP2C19
SCHEMBL20335205 0.72 GRM2 (0.36) CYP2C19LMNAMTOR
SCHEMBL10975483 0.72 GRM2 (0.36) CYP2C19LMNAMTOR
SCHEMBL5899581 0.69 GRM2 (0.33)
SCHEMBL11214435 0.68 ALOX5 (0.40) ALDH1A1

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-0973848-B1 IMPROVED OIL COMPOSITIONS INFINEUM USA LP (US) 2001-08-08 EP claimed