SCHEMBL7529301

SCHEMBL7529301

C#CCC(OC(C)=O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
PDE4D Q08499 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.39
CYP17A1 P05093 2/20 0.39
CYP19A1 P11511 2/20 0.39
TBXAS1 P24557 4/20 0.38
KCNA5 P22460 1/20 0.37

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
SCHEMBL7118884 0.86 MAPK1 (0.37) ALDH1A1HTTLMNAMAPK1SMN1; SMN2
SCHEMBL2954086 0.82 ALDH1A1 (0.49) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL7052453 0.82 USP2 (0.40) ALDH1A1HTTMAPK1SMN1; SMN2CYP17A1
SCHEMBL7522491 0.82 PABPC1 (0.50) ALDH1A1CYP19A1
SCHEMBL23736419 0.79 ALDH1A1 (0.46) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL18368418 0.78 ALDH1A1 (0.45) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL17072863 0.76 ALDH1A1 (0.53) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL27558665 0.74 CYP17A1 (0.58) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL27495104 0.73 ALDH1A1 (0.48) ALDH1A1HTTLMNAMAPK1PDE4D
SCHEMBL7522328 0.73 MAPT (0.43) ALDH1A1LMNAMAPK1SMN1; SMN2L3MBTL1

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
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US disclosed