SCHEMBL11089110

SCHEMBL11089110

CC(O)c1cccc2c1OC1(CC1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
STAT3 P40763 1/20 0.31
IDO1 P14902 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CES2 O00748 1/20 0.31
GMNN O75496 1/20 0.31
TDP2 O95551 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HSPD1 P10809 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
NQO1 P15559 1/20 0.31

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
SCHEMBL10928680 0.74 KDM4E (0.37) PARP1KDM4EMEN1TDP2ALDH1A1
SCHEMBL8948488 0.72 PARP1 (0.38) PARP1MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL11381582 0.72 ALDH1A1 (0.44) IDO1KDM4EMEN1CES2GMNN
SCHEMBL11159842 0.72 RAB9A (0.40) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL11155587 0.69 DDB1 (0.37) IDO1KDM4EMEN1CES2GMNN
SCHEMBL8948740 0.68 CA1 (0.49) ALDH1A1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL11387596 0.67 NSD2 (0.41) KDM4EMEN1ALDH1A1LMNAGLA
SCHEMBL11387475 0.67 MEN1 (0.50) MEN1ALDH1A1LMNAMAPTTHRB
SCHEMBL11158055 0.67 MAPT (0.45) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL11154239 0.64 ALDH1A1 (0.46) KDM4EALDH1A1MAPTALOX15NFKB1

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
EP-0039091-B1 SPIROBENZOFURANONE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1984-05-30 EP claimed