SCHEMBL7694465

SCHEMBL7694465

COc1ccc(-n2sc3ccccc3c2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 14/20 0.50
PMM2 O15305 12/20 0.50
G6PD P11413 4/20 0.50
PHOSPHO1 Q8TCT1 13/20 0.45
APOBEC3G Q9HC16 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 2/20 0.44
CASP3 P42574 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL7690035 0.89 PDE4A (0.40) MPIPMM2G6PDPHOSPHO1MAPT
SCHEMBL8370795 0.81 G6PD (0.69) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL7698939 0.78 MCHR1 (0.43) CASP3PDE4APDE4BPDE4CPDE4D
SCHEMBL7694469 0.78 MPI (0.50) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL7692652 0.77 NR1H3 (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL8369495 0.73 PHOSPHO1 (0.66) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL7701165 0.73 HTR2C (0.56) ALDH1A1MAPTPKMPDE4APDE4B
SCHEMBL8713826 0.73 NR1H3 (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7689966 0.72 G6PD (0.56) MPIPMM2G6PDPHOSPHO1APOBEC3G
SCHEMBL8369479 0.72 G6PD (0.65) MPIPMM2G6PDPHOSPHO1APOBEC3G

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-2002081447-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOTHIAZOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2002-10-17 WO disclosed