SCHEMBL8712765

SCHEMBL8712765

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

nearest known ligand 0.39

Predicted protein targets (top 14)

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
SMYD3 Q9H7B4 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
EPHX2 P34913 1/20 0.34
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
SCHEMBL8712766 1.00 KMT2A (0.35) KMT2AMEN1MAPTATMNR1H2
SCHEMBL15626787 0.91 KMT2A (0.40) KMT2AMEN1MAPTATMNR1H2
SCHEMBL9762164 0.86 KMT2A (0.35) KMT2AMEN1MAPTATMNR1H2
SCHEMBL22526013 0.84 CHRM2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL22502584 0.84 NR1H2 (0.46) KMT2AMEN1MAPTATMNR1H2
SCHEMBL24571113 0.84 NR1H2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL8485377 0.84 NR1H2 (0.36) KMT2ANR1H2SMYD3ALDH1A1CTSS
SCHEMBL22502585 0.84 NR1H2 (0.46) KMT2AMEN1MAPTATMNR1H2
SCHEMBL12513869 0.84 NR1H2 (0.39) KMT2AMEN1MAPTATMNR1H2
SCHEMBL8485380 0.84 NR1H2 (0.36) KMT2ANR1H2SMYD3ALDH1A1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020253152-A1 SULFONAMIDE-CONTAINING 4-(N-METHYL)AMINOPIPERIDINE MYRICETIN DERIVATIVE, PREPARATION METHOD AND APPLICATION 贵州大学 2020-12-24 WO disclosed
WO-2020253140-A1 4-(N-METHYL)AMINOPIPERIDINE MYRICETIN DERIVATIVE CONTAINING DITHIOCARBAMATE, PREPARATION METHOD AND USE THEREOF 贵州大学 2020-12-24 WO disclosed
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed