SCHEMBL8780797

SCHEMBL8780797

CC(C)n1c(CCCCl)cc(=O)n(C(C)C)c1=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2B6 P20813 1/20 0.30

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
SCHEMBL8780985 0.70 GPR84 (0.42) ALDH1A1NPSR1
SCHEMBL11488686 0.69 CYP3A4 (0.35) ALDH1A1MAPTCYP3A4CYP2B6
SCHEMBL8781046 0.68 POLB (0.36) ALDH1A1MAPT
SCHEMBL26815268 0.65 ATM (0.35) ALDH1A1
SCHEMBL25061759 0.63 ADORA2B (0.38) ALDH1A1MAPTCASP3NPSR1SENP8
SCHEMBL17841299 0.61 TYMP (0.35) ALDH1A1MAPT
SCHEMBL1318483 0.61 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL5551663 0.59 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4
SCHEMBL11731417 0.58 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2B6
SCHEMBL24759399 0.58 ADORA2B (0.37) ALDH1A1MAPTNPSR1CYP3A4CYP2B6

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
EP-0697407-B1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS (JP) 1997-06-25 EP disclosed
EP-0697407-A1 Pyrimidinedione derivatives and antiarrhythmic compositions containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-02-21 EP disclosed