SCHEMBL4753785

SCHEMBL4753785

CC12COC(CC3(C#N)C[C@H](Cc4ccccc4)[C@@H](Cc4ccccc4)C3)(OC1)OC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KDM1A O60341 2/20 0.32
TACR1 P25103 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 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
SCHEMBL4753787 1.00 POLB (0.36) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL4755477 0.71 HSD11B1 (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4755474 0.71 HSD11B1 (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4755475 0.71 HSD11B1 (0.39) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL4756989 0.70 POLB (0.33) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL4756985 0.70 POLB (0.33) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL4756083 0.68 MEN1 (0.33) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL10073907 0.67 CTSC (0.43) MAPTOTUD7BKDM4ELMNAHIF1A
SCHEMBL7689385 0.60 ALDH1A1 (0.47) ALDH1A1TSHRTACR1
SCHEMBL11574706 0.59 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1HPGDMAPT

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