SCHEMBL4940662

SCHEMBL4940662

[C]#CC(CCCC)CCCCC#C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL60155 0.94 SMN1; SMN2 (0.38) USP2CYP3A4SMN1; SMN2MEN1ALDH1A1
SCHEMBL60063 0.94 SMN1; SMN2 (0.38) USP2CYP3A4SMN1; SMN2MEN1ALDH1A1
SCHEMBL60752 0.86
SCHEMBL4448677 0.78 DNM1 (0.36) CYP3A4SMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL28399333 0.73
SCHEMBL55290 0.72
SCHEMBL8649298 0.72 LMNA (0.43) USP2CYP3A4SMN1; SMN2MEN1ALDH1A1
SCHEMBL387047 0.72 OPRM1 (0.39) TSHR
SCHEMBL20187243 0.71 USP2 (0.41) USP2CYP3A4SMN1; SMN2MEN1ALDH1A1
SCHEMBL514779 0.70 TSHR (0.50) SMN1; SMN2MEN1MAPTKMT2ATSHR

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-1996178-A2 ORGANOTELLURIUM AND SELENIUM-BASED ANTIMICROBIAL ANTIMICROBIAL FORMULATIONS AND ARTICLES Andover Healthcare, Inc. (US) 2008-12-03 EP disclosed
WO-2007109633-A2 ORGANOTELLURIUM AND SELENIUM-BASED ANTIMICROBIAL ANTIMICROBIAL FORMULATIONS AND ARTICLES ANDOVER HEALTHCARE, INC. (US) 2007-09-27 WO disclosed