SCHEMBL8715420

SCHEMBL8715420

CCCCS(=O)(=O)NC1Cc2ccc(C(=O)C(CC(=O)OC)c3ccccc3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
NR1H2 P55055 4/20 0.37
KCNA5 P22460 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8715218 0.93 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715178 0.85 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8716090 0.80 KCNA5 (0.40) KCNA5LMNATP53MAPTSMN1; SMN2
SCHEMBL8715202 0.80 HDAC8 (0.52) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715413 0.78 HDAC8 (0.65) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL10406423 0.76 NR1H2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8305408 0.75 HDAC8 (0.60) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL9414745 0.75 HDAC8 (0.57) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715374 0.75 HDAC8 (0.57) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715545 0.74 PDE4A (0.39) KCNA5LMNAMEN1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed