SCHEMBL10080754

SCHEMBL10080754

O=C(O)c1ccc2cc(CO)c3ccccc3c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2C Q14957 1/20 0.64
ACE2 Q9BYF1 3/20 0.50
KDM4E B2RXH2 3/20 0.44
PARP1 P09874 3/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
TTR P02766 1/20 0.43
HPGD P15428 3/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CSNK2A1 P68400 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL10080752 0.89 GRIN2D (0.62) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL10080492 0.84 GRIN2D (0.57) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL10080753 0.84 GRIN2D (0.57) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL10080515 0.83 GRIN2D (0.56) GRIN2DGRIN2AGRIN2CACE2CYP1A2
SCHEMBL10080478 0.82 GRIN2D (0.55) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL10080499 0.81 GRIN2D (0.54) GRIN2DGRIN2AGRIN2CALDH1A1HPGD
SCHEMBL10080751 0.80 GRIN2D (0.52) GRIN2DGRIN2AGRIN2CACE2KDM4E
SCHEMBL10080490 0.80 GRIN2D (0.52) GRIN2DGRIN2AGRIN2CALDH1A1HPGD
SCHEMBL10080500 0.80 GRIN2D (0.52) GRIN2DGRIN2AGRIN2CALDH1A1HPGD
SCHEMBL10081747 0.79 GRIN2D (0.68) GRIN2DGRIN2AGRIN2CKDM4EPARP1

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
WO-2012019106-A2 POSITIVE AND NEGATIVE MODULATORS OF NMDA RECEPTORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2012-02-09 WO disclosed