SCHEMBL8715374

SCHEMBL8715374

CCCCS(=O)(=O)NC1Cc2ccc(C(=O)C=Cc3ccccc3)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.57
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44

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
SCHEMBL9414745 1.00 HDAC8 (0.57) HDAC8TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8715413 0.81 HDAC8 (0.65) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8305408 0.78 HDAC8 (0.60) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715178 0.77 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715218 0.77 HDAC8 (0.53) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8308839 0.76 PSEN1 (0.69) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715202 0.75 HDAC8 (0.52) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL8715420 0.75 HDAC8 (0.52) HDAC8PSEN1PSEN2APH1BNCSTN
SCHEMBL11458420 0.73 CYP1B1 (0.55) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL11458421 0.73 CYP1B1 (0.55) MAPTMEN1ALDH1A1LMNAKMT2A

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