SCHEMBL7433313

SCHEMBL7433313

CCOP(=O)(CCCCc1ccccc1)NC1CSc2ccccc2N(CC(=O)O)C1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.58
MME P08473 3/20 0.51
ABCB11 O95342 1/20 0.43
AGTR2 P50052 1/20 0.43
PDE3A Q14432 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
XIAP P98170 1/20 0.42

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
SCHEMBL7424247 0.86 ACE (0.61) ACEMME
SCHEMBL7422816 0.79 SRC (0.49) ACE
SCHEMBL11104778 0.79 LMNA (0.38) ACE
SCHEMBL11104772 0.79 LMNA (0.38) ACE
SCHEMBL7330364 0.76 ACE (0.55) ACEMME
SCHEMBL7330368 0.76 ACE (0.55) ACEMME
SCHEMBL7433309 0.76 ACE (0.36) ACE
SCHEMBL7426897 0.76 ACE (0.41) ACE
SCHEMBL7433357 0.76 ACE (0.81) ACEMMEABCB11AGTR2PDE3A
SCHEMBL10853559 0.76 ACE (0.81) ACEMMEABCB11AGTR2PDE3A

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
EP-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 EP disclosed