SCHEMBL625595

SCHEMBL625595

CCC(CCC[N+](C)(C)C)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
APEX1 P27695 3/20 0.38
ACHE P22303 3/20 0.38
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
DNM1 Q05193 6/20 0.37
NPSR1 Q6W5P4 1/20 0.36
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAD52 P43351 1/20 0.34
BBOX1 O75936 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
SCHEMBL28844291 0.80 MEN1 (0.36) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL8102533 0.80 MEN1 (0.36) MEN1KMT2AAPEX1ACHENFKB1
SCHEMBL18806384 0.80
SCHEMBL5948812 0.75 ALDH1A1 (0.39) SMN1; SMN2LMNATSHRDNM1
SCHEMBL20368642 0.75 ALDH1A1 (0.39) SMN1; SMN2LMNATSHRDNM1
SCHEMBL5948733 0.73 OPRM1 (0.40) LMNATSHRDNM1
SCHEMBL22986852 0.71 LMNA (0.41) LMNATSHRDNM1
SCHEMBL4797069 0.71 LMNA (0.41) LMNATSHRDNM1
SCHEMBL14840061 0.71 LMNA (0.41) LMNATSHRDNM1
SCHEMBL24990076 0.71 LMNA (0.41) LMNATSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603233-A1 VACCINE ENGINEERING AC Immune S.A. (CH) 2013-06-19 EP claimed
WO-2012020124-A1 VACCINE ENGINEERING AC IMMUNE S.A. (CH) 2012-02-16 WO claimed
EP-3527220-A1 VACCINE ENGINEERING AC Immune S.A. (CH) 2019-08-21 EP disclosed
EP-2758071-B1 VACCINE THERAPY AC IMMUNE SA (CH) 2018-11-28 EP disclosed
EP-2758071-A1 VACCINE THERAPY AC Immune S.A. (CH) 2014-07-30 EP disclosed
EP-2603233-A1 VACCINE ENGINEERING AC Immune S.A. (CH) 2013-06-19 EP disclosed
WO-2013044147-A1 VACCINE THERAPY AC IMMUNE S.A. (CH) 2013-03-28 WO disclosed
WO-2012020124-A1 VACCINE ENGINEERING AC IMMUNE S.A. (CH) 2012-02-16 WO disclosed