SCHEMBL27327768

SCHEMBL27327768

CCCCCOC1CC2CCC1(C)C2(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
HTT P42858 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 2/20 0.60
PLA2G1B P04054 1/20 0.60
MAPK1 P28482 1/20 0.60
RAD52 P43351 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
ALDH1A1 P00352 2/20 0.49
EPHX2 P34913 1/20 0.43

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
SCHEMBL28065697 0.98 LMNA (0.62) LMNAHTTKMT2AMAPTMEN1
SCHEMBL28007809 0.95 LMNA (0.60) LMNAHTTKMT2AMAPTMEN1
SCHEMBL7688059 0.86 ALDH1A1 (0.56) LMNAHTTKMT2AMAPTMEN1
SCHEMBL9159085 0.86 LMNA (0.50) LMNAHTTKMT2AMAPTMEN1
SCHEMBL17630047 0.84 LMNA (0.50) LMNAHTTKMT2AMAPTMEN1
SCHEMBL5824224 0.83 ALDH1A1 (0.54) LMNAHTTKMT2AMAPTMEN1
SCHEMBL75298 0.81 ALDH1A1 (0.55) LMNAHTTKMT2AMAPTMEN1
SCHEMBL28263399 0.81 ALDH1A1 (0.55) LMNAHTTKMT2AMAPTMEN1
SCHEMBL10715093 0.80 KMT2A (0.50) LMNAHTTKMT2AMAPTMEN1
SCHEMBL4931645 0.80 KMT2A (0.52) LMNAHTTKMT2AMAPTMEN1

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-1033802-A New cystine derivatives and preparation method thereof DRACO AB (SE) 1989-07-12 CN disclosed