SCHEMBL5322174

SCHEMBL5322174

C#CCOCCN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD3 P35462 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 0.31
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
LTA4H P09960 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL19194672 0.85 TSHR (0.41) MEN1KMT2AALDH1A1TSHR
SCHEMBL9812541 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL27669945 0.80 MEN1 (0.57) MEN1KMT2AALDH1A1TSHR
SCHEMBL24920165 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1TSHR
SCHEMBL12445692 0.79 MEN1 (0.37) MEN1KMT2AALDH1A1TSHR
SCHEMBL11232852 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL135077 0.77 MEN1 (0.61) MEN1KMT2AALDH1A1POLBTSHR
SCHEMBL9835270 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TSHRCYP2C9
SCHEMBL1694806 0.76
SCHEMBL6992317 0.76 TSHR (0.39) MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827423-B1 FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 2007-12-12 EP claimed