SCHEMBL13844833

SCHEMBL13844833

CCC(CC)COc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.58
GAA P10253 2/20 0.57
ELANE P08246 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
PPARA Q07869 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 1/20 0.50

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
SCHEMBL4197347 0.86 ABCB1 (0.68) ABCB1GAAELANEMAPK1ALDH1A1
SCHEMBL15391039 0.85 GAA (0.63) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL3983570 0.85 ABCB1 (0.44) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL25052150 0.85 ABCB1 (0.56) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL3983568 0.85 ABCB1 (0.44) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL16526411 0.83 MAPT (0.67) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL14750878 0.83 ABCB1 (0.54) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL25052017 0.83 ABCB1 (0.54) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL4200509 0.82 LMNA (0.68) ABCB1GAAELANEL3MBTL1MAPK1
SCHEMBL28464275 0.82 HPGD (0.64) GAAL3MBTL1MAPK1ALDH1A1HTT

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
WO-2009055932-A1 SUBSTITUTED PHENYLPROPIONIC ACIDS AS STIMULATORS OF HEMATOPOIESIS AND ERYTHROPOIESIS PROMETIC BIOSCIENCES INC. (CA) 2009-05-07 WO disclosed