SCHEMBL8911929

SCHEMBL8911929

CCCN(C(=O)OCC(C)C)C1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL8913868 0.84 CYP1A2 (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8911880 0.83 PDE3B (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8912378 0.79 MAPT (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8912025 0.71 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8913328 0.70 MAPT (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8715566 0.69 MAPT (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8296106 0.69 PDE3B (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8302588 0.69 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8913213 0.69 MAPT (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
Bromide SCHEMBL8291044 0.68 PDE3B (0.42) PDE4APDE4BPDE4CPDE4DPDE3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5605901-A THERAPY FOR GRAM-NEGATIVE BACTERIA, NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-02-25 US disclosed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0661274-A1 Indane derivatives, processes for preparing the same and synthetic intermediate of the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed