SCHEMBL28085451

SCHEMBL28085451

CCCCC(CO)C(N)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
CYP2D6 P10635 4/20 0.47
SPHK1 Q9NYA1 4/20 0.47
MAPT P10636 4/20 0.47
GMNN O75496 3/20 0.47
POLB P06746 3/20 0.47
BLM P54132 3/20 0.47
CETP P11597 3/20 0.47
UBE2N P61088 3/20 0.47
TP53 P04637 3/20 0.47
THPO P40225 2/20 0.47
CYP1A2 P05177 2/20 0.47
MTOR P42345 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LAP3 P28838 2/20 0.39
OPRM1 P35372 1/20 0.37
MEN1 O00255 3/20 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
SCHEMBL28732358 0.91 CYP2D6 (0.59) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL141849 0.87 SPHK1 (0.44) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL8061906 0.83 CA2 (0.41) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL3837397 0.83 ALDH1A1 (0.46) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL1428275 0.83 SPHK1 (0.41) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL6463333 0.82 ALDH1A1 (0.55) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL23352428 0.81 SPHK1 (0.45) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL9550799 0.81 LMNA (0.47) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL16281529 0.81 ALDH1A1 (0.44) LMNACYP2D6SPHK1MAPTGMNN
SCHEMBL11137785 0.80 SPHK1 (0.54) LMNACYP2D6SPHK1MAPTGMNN

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
CN-105797168-A Compositions and method for treatment of autoimmune and other diseases 天蓝制药公司 2016-07-27 CN disclosed