SCHEMBL24520484

SCHEMBL24520484

CC(C)C1CC(=O)N(CCOCCOCCOCCN2C(=O)C=CC2=O)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.56
POLB P06746 1/20 0.36
FAAH O00519 3/20 0.33
LMNA P02545 3/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PKM P14618 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL17920552 0.91 MGLL (0.39) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL16675656 0.88 MGLL (0.39) MGLLPOLBFAAHLMNAALDH1A1
SCHEMBL25892775 0.86 MGLL (0.35) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL12458152 0.85 MGLL (0.46) MGLLPOLBFAAHLMNAALDH1A1
SCHEMBL26878187 0.84 POLB (0.34) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL17921780 0.84 POLB (0.34) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL25868159 0.84 POLB (0.34) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL4741521 0.84 LMNA (0.38) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL25868269 0.84 POLB (0.34) MGLLPOLBLMNATSHRALDH1A1
SCHEMBL26878191 0.84 POLB (0.34) MGLLPOLBLMNATSHRALDH1A1

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
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed