SCHEMBL8914142

SCHEMBL8914142

C=CC(=O)NCCCCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RX7 Q99572 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HDAC3 O15379 6/20 0.33
HDAC4 P56524 6/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC7 Q8WUI4 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC10 Q969S8 6/20 0.33
HDAC11 Q96DB2 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC9 Q9UKV0 6/20 0.33
HDAC5 Q9UQL6 6/20 0.33
TBXA2R P21731 1/20 0.33
MAPT P10636 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
SCHEMBL8912661 0.97 PDE3B (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8911348 0.93 PDE3B (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8291609 0.83 PDE3B (0.37) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8298502 0.80 PDE3B (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8912452 0.79 PDE3B (0.43) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8291725 0.79 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8300268 0.77 PDE3B (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8914447 0.77 P2RX7 (0.38) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8911327 0.76 P2RX7 (0.39) PDE3BPDE3AP2RX7PDE4APDE4B
SCHEMBL8913328 0.76 MAPT (0.38) PDE3BPDE3AP2RX7PDE4APDE4B

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 claimed
US-5543409-A Indane derivatives for treating endotoxin shock and/or nephritis TANABE SEIYAKU CO., LTD. (JP) 1996-08-06 US claimed
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 claimed