SCHEMBL8633017

SCHEMBL8633017

CC(C)C(C)(NC(N)=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32
CRBN Q96SW2 1/20 0.32
TSHR P16473 2/20 0.32
NFKB1 P19838 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2690051 0.79 PIK3CD (0.50) PIK3CDPOLBALDH1A1CRBNTSHR
SCHEMBL8389085 0.77 TSHR (0.36) PIK3CDPOLBCRBNTSHRNFKB1
SCHEMBL12267723 0.76 PIK3CD (0.37) PIK3CDPOLBPTGS1NFKB1CA2
SCHEMBL2845709 0.75
SCHEMBL6209372 0.74 PIK3CD (0.35) PIK3CDALDH1A1CRBNTSHRNFKB1
SCHEMBL13062769 0.73 PIK3CD (0.32) PIK3CDPOLB
SCHEMBL11400262 0.72 CRBN (0.31) PIK3CDCRBNTSHRNFKB1LMNA
SCHEMBL23828 0.71
SCHEMBL5266832 0.70 PIK3CD (0.33) PIK3CD
SCHEMBL20715752 0.70 PIK3CD (0.38) PIK3CDPOLB

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-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed