SCHEMBL6549116

SCHEMBL6549116

CCCCCCCCC=CCCCCCCC[N+](C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.71
APAF1 O14727 1/20 0.65
HSP90AA1 P07900 1/20 0.65
RAD52 P43351 1/20 0.65
FAAH O00519 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
ENPP2 Q13822 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
APEX1 P27695 3/20 0.52
NFKB1 P19838 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ACHE P22303 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PMP22 Q01453 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL157763 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52FAAH
SCHEMBL157761 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52FAAH
SCHEMBL4047246 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52FAAH
SCHEMBL3802505 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52FAAH
SCHEMBL4047250 1.00 DNM1 (0.71) DNM1APAF1HSP90AA1RAD52FAAH
Water SCHEMBL5704109 0.98 APAF1 (0.70) DNM1APAF1HSP90AA1RAD52FAAH
Hydrochloric Acid SCHEMBL313869 0.98 DNM1 (0.73) DNM1APAF1HSP90AA1RAD52FAAH
Hydrochloric Acid SCHEMBL1029164 0.98 DNM1 (0.73) DNM1APAF1HSP90AA1RAD52FAAH
Bromide SCHEMBL4655151 0.98 DNM1 (0.73) DNM1APAF1HSP90AA1RAD52FAAH
Water SCHEMBL8017017 0.98 APAF1 (0.70) DNM1APAF1HSP90AA1RAD52FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211282-B1 Rubber mix comprising expanded layer silicates CONITECH HOLDING GMBH (DE) 2004-12-01 EP claimed
EP-1211282-A1 Rubber mix comprising expanded layer silicates ConiTech Holding GmbH (DE) 2002-06-05 EP claimed
EP-1211282-B1 Rubber mix comprising expanded layer silicates CONITECH HOLDING GMBH (DE) 2004-12-01 EP disclosed
EP-1211282-A1 Rubber mix comprising expanded layer silicates ConiTech Holding GmbH (DE) 2002-06-05 EP disclosed