SCHEMBL8633102

SCHEMBL8633102

COC(=O)[C@@H](CN)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
ESRRB O95718 1/20 0.34
POLB P06746 1/20 0.34
ANPEP P15144 1/20 0.33
KDM1A O60341 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
SCHEMBL8430109 0.87 SLC1A3 (0.36) KMT2AMEN1TSHR
SCHEMBL8633109 0.75 TAAR1 (0.37) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL8633106 0.72 SLC1A3 (0.37) KMT2AMEN1L3MBTL1ALDH1A1CYP2C9
SCHEMBL15693935 0.71 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL22262820 0.71 MEN1 (0.61) KMT2AMEN1ATMALDH1A1THRB
SCHEMBL15693937 0.71 KMT2A (0.53) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL8573838 0.70 MEN1 (0.34) KMT2AMEN1
SCHEMBL13181798 0.69 KMT2A (0.55) KMT2AMEN1MAPTL3MBTL1ATM
SCHEMBL12770520 0.69 KMT2A (0.55) KMT2AMEN1MAPTL3MBTL1ATM
SCHEMBL8570991 0.67 ALDH1A1 (0.41) KMT2AMEN1MAPTL3MBTL1ATM

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-5712388-A Method of preparing a derivative of optically active azetidin-2-one TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-01-27 US disclosed