SCHEMBL1104603

SCHEMBL1104603

CO[C@@H]1C2OC(C3C(=O)N(c4ccccc4)C(=O)C32)[C@@H]1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
MAOA P21397 1/20 0.42
ALDH1A1 P00352 8/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL1104566 0.90 ATM (0.48) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL1104567 0.84 ATM (0.40) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL13325754 0.83 ATM (0.39) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL15085996 0.81 ATM (0.59) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL905973 0.78 ATM (0.59) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL19691980 0.78 ATM (0.59) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL25771053 0.77 ATM (0.54) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL1104576 0.77 ALDH1A1 (0.44) ATMCACNA1BAPBA1ALDH1A1TSHR
SCHEMBL1104598 0.75 ATM (0.51) ATMMEN1KMT2APOLBCACNA1B
SCHEMBL16358149 0.75 ATM (0.39) ATMMEN1KMT2APOLBALDH1A1

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-8153725-B2 Supports for oligomer synthesis ISIS PHARMACEUTICALS, INC (US) 2012-04-10 US disclosed