SCHEMBL8913868

SCHEMBL8913868

CCCN(C(=O)Oc1ccccc1)C1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
LMNA P02545 3/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
MAPT P10636 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GALR3 O60755 1/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 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
SCHEMBL8911929 0.84 PDE4A (0.36) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8911880 0.83 PDE3B (0.39) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8913328 0.70 MAPT (0.38) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8911600 0.70 CA12 (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8912025 0.69 PDE4A (0.40) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8715566 0.69 MAPT (0.44) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8296106 0.69 PDE3B (0.43) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8302588 0.69 PDE3B (0.44) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL8913213 0.69 MAPT (0.39) CYP1A2PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL8291044 0.68 PDE3B (0.42) CYP1A2PDE4APDE4BPDE4CPDE4D

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