SCHEMBL9778588

SCHEMBL9778588

c1ccc(COc2ccc(C3SCCS3)cc2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
APP P05067 2/20 0.44
SLC6A4 P31645 3/20 0.43
MAOB P27338 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.41
PRMT5 O14744 1/20 0.41
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
C5AR1 P21730 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9778560 0.94 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778662 0.93 MAPT (0.48) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778888 0.92 APP (0.55) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778946 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778863 0.88 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778660 0.86 APP (0.53) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778530 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778622 0.80 MAOB (0.59) MAOBMAPTKDM4EALDH1A1RAB9A
SCHEMBL4370495 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL9778629 0.75 SIGMAR1 (0.41) SLC6A4HTR2CHTR2BMAPTKDM4E

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed