SCHEMBL8300364

SCHEMBL8300364

CCCS(=O)(=O)NCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.45
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
MAPT P10636 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIA2 P42262 5/20 0.36
JAK1 P23458 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP1A2 P05177 2/20 0.34

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
SCHEMBL8300942 0.93 PDE3B (0.44) TBXA2RPDE3BPDE3AMAPTPDE4A
SCHEMBL8291586 0.90 PDE3B (0.41) TBXA2RPDE3BPDE3AMAPTPDE4A
SCHEMBL8307491 0.86 GRIA2 (0.45) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8296106 0.83 PDE3B (0.43) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8291735 0.82 PDE3B (0.40) TBXA2RPDE3BPDE3AMAPTPDE4A
SCHEMBL8292050 0.82 PDE3B (0.43) TBXA2RPDE3BPDE3AMAPTPDE4A
Bromide SCHEMBL8291044 0.82 PDE3B (0.42) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8302585 0.80 MAPT (0.46) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8912821 0.79 PDE3B (0.40) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL8292411 0.78 PDE3B (0.42) PDE3BPDE3AMAPTPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP claimed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP claimed
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed