SCHEMBL11764211

SCHEMBL11764211

CC(C)C(=O)NC(C)(C)C.O=S(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCL8 P10145 1/20 0.32
PIK3CD O00329 1/20 0.30
HDAC2 Q92769 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
SCHEMBL154812 0.92 POLB (0.46) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL14357555 0.77 POLB (0.43) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL8229637 0.76 POLB (0.46) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL23084588 0.76 POLB (0.46) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL8222052 0.76 POLB (0.46) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL27104214 0.75 POLB (0.42) POLBEPHX1KDM4EALDH1A1
SCHEMBL22304297 0.74 PIK3CD (0.37) POLBALDH1A1PIK3CD
SCHEMBL3902707 0.74 POLB (0.44) POLBEPHX1KDM4EALDH1A1MEN1
SCHEMBL24435902 0.73 POLB (0.41) POLBKDM4EALDH1A1
SCHEMBL19171406 0.73 HIF1A (0.43) POLBEPHX1KDM4EALDH1A1MEN1

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-4026926-A COMPLEX OF SULFUR TRIOXIDE WITH A SECONDARY AMIDE TOHO BESLON KABUSHIKI KAISHA (JA) 1977-05-31 US disclosed