SCHEMBL4756989

SCHEMBL4756989

COC(CC1(C#N)CC(Cc2ccccc2)C(Cc2ccccc2)C1)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM1A O60341 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
CASP7 P55210 1/20 0.32
CTSC P53634 1/20 0.31

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
SCHEMBL4756985 1.00 POLB (0.33) POLBMEN1ALDH1A1MAPTHPGD
SCHEMBL4756083 0.86 MEN1 (0.33) POLBMEN1ALDH1A1MAPTHPGD
SCHEMBL4756895 0.76
SCHEMBL4756054 0.73
SCHEMBL4755474 0.72 HSD11B1 (0.39) MEN1ALDH1A1MAPTHPGDALOX15
SCHEMBL4755475 0.72 HSD11B1 (0.39) MEN1ALDH1A1MAPTHPGDALOX15
SCHEMBL4755477 0.72 HSD11B1 (0.39) MEN1ALDH1A1MAPTHPGDALOX15
SCHEMBL4755396 0.72
SCHEMBL4753787 0.70 POLB (0.36) POLBMEN1ALDH1A1MAPTHPGD
SCHEMBL10073907 0.63 CTSC (0.43) MAPTKDM4ECTSC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO claimed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed