SCHEMBL9754871

SCHEMBL9754871

C=C[CH]NS(=O)(=O)CCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.39
RELA Q04206 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CA2 P00918 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
SCHEMBL11755607 0.82 FAAH (0.45) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL7446566 0.77 FAAH (0.43) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL667726 0.77 RELA (0.43) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL1387740 0.77 ALDH1A1 (0.41) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL8560726 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL966697 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL8637402 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL4910687 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL1751775 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA
SCHEMBL7522857 0.75 FAAH (0.46) FAAHRELAMEN1ALDH1A1LMNA

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
WO-1991013071-A1 NOVEL TRISUBSTITUTED PYRROLS, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-05 WO claimed
WO-1991013070-A1 NOVEL TRISUBSTITUTED MALEINIMIDES, PROCESS FOR THEIR PRODUCTION AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-05 WO claimed