SCHEMBL6708221

SCHEMBL6708221

CC(=O)CC[CH]Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACP3 P15309 1/20 0.42
MTNR1A P48039 2/20 0.42
CYP1A2 P05177 2/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTNNB1 P35222 1/20 0.41
FFAR1 O14842 1/20 0.41
AKR1B1 P15121 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL10389881 0.87 TDP1 (0.53) TDP1MEN1KMT2AACP3MTNR1A
SCHEMBL7297659 0.81 CYP1A2 (0.43) TDP1MEN1KMT2AACP3MTNR1A
SCHEMBL5830944 0.81 CYP2C19 (0.56) TDP1MEN1KMT2AACP3CYP1A2
SCHEMBL18242791 0.78 CYP2C19 (0.47) TDP1MEN1KMT2AACP3CYP1A2
SCHEMBL30258002 0.78 IAPP (0.56) TDP1ACP3MTNR1ACYP1A2CYP2D6
SCHEMBL4070601 0.78 IAPP (0.56) TDP1ACP3MTNR1ACYP1A2CYP2D6
SCHEMBL5609945 0.77 TDP1 (0.53) TDP1MEN1KMT2AACP3MTNR1A
SCHEMBL7058290 0.76 MTNR1A (0.45) TDP1ACP3MTNR1AATM
SCHEMBL10391165 0.76 TDP1 (0.49) TDP1MEN1KMT2AACP3MTNR1A
SCHEMBL18243028 0.76 CYP2C19 (0.44) TDP1ACP3CYP1A2CYP2D6CYP2C19

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
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed