SCHEMBL8533430

SCHEMBL8533430

CC(=O)CCC(=O)C1(C)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.37
SLC15A2 Q16348 1/20 0.37
FFAR3 O14843 1/20 0.32
HSD11B1 P28845 1/20 0.31
CETP P11597 2/20 0.31
CYP2C19 P33261 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL8536096 0.83 LMNA (0.39) ALDH1A1SMN1; SMN2LMNASLC15A2FFAR3
SCHEMBL12676103 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL8537221 0.78 TSHR (0.50) ALDH1A1SMN1; SMN2LMNA
SCHEMBL22175253 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2FFAR3CETPP2RX7
SCHEMBL12883183 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL22550126 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL7080167 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL7080172 0.75 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL3239419 0.73 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1
SCHEMBL21238456 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAFFAR3HSD11B1

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-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed