SCHEMBL9308922

SCHEMBL9308922

O=C(O)C1CC(O)CN1C(=O)c1cccc2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
ATM Q13315 1/20 0.41
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PIK3CD O00329 2/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL9307568 0.90 ATM (0.41) HCRTR1HCRTR2ATMKDM4EPIK3CD
SCHEMBL9308604 0.75 ALDH1A1 (0.50) ATMCTNNB1KDM4EMAPT
SCHEMBL19475011 0.75 ATM (0.49) ATMKDM4EPIK3CDMEN1MAPT
SCHEMBL2059307 0.74 PIK3CD (0.65) ATMPIK3CDMAPT
SCHEMBL10470158 0.74 ATM (0.47) HCRTR1HCRTR2ATMPIK3CDMEN1
SCHEMBL12261021 0.73 MMP2 (0.46) HCRTR1HCRTR2ATMPIK3CDMEN1
SCHEMBL1020885 0.72 CTNNB1 (0.52) CTNNB1WNT3AKDM4EHDAC3HDAC4
SCHEMBL10469223 0.71 PIK3CD (0.61) ATMPIK3CDMEN1KMT2A
SCHEMBL9028119 0.71 PIK3CD (0.61) ATMPIK3CDMEN1KMT2A
SCHEMBL9028110 0.71 PIK3CD (0.61) ATMPIK3CDMEN1KMT2A

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed