SCHEMBL9762164

SCHEMBL9762164

CC(C)(C)OC(=O)CCC1CCC(CCN)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
NR1H2 P55055 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
EPHX2 P34913 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15626787 0.91 KMT2A (0.40) KMT2AMEN1MAPTATMNR1H2
SCHEMBL8712766 0.86 KMT2A (0.35) KMT2AMEN1MAPTATMNR1H2
SCHEMBL8712765 0.86 KMT2A (0.35) KMT2AMEN1MAPTATMNR1H2
SCHEMBL24571113 0.84 NR1H2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL22502585 0.84 NR1H2 (0.46) KMT2AMEN1MAPTATMNR1H2
SCHEMBL22502584 0.84 NR1H2 (0.46) KMT2AMEN1MAPTATMNR1H2
SCHEMBL12513869 0.84 NR1H2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL22526013 0.84 CHRM2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL8349429 0.83 MEN1 (0.48) KMT2AMEN1MAPTATMALDH1A1
SCHEMBL26667580 0.83 HPGD (0.46) KMT2AMEN1MAPTATMALDH1A1

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
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP disclosed