SCHEMBL5322932

SCHEMBL5322932

C#CCOCCN(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
LTA4H P09960 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL9705215 0.78 MEN1 (0.48) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL12918859 0.76 MEN1 (0.46) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL1694806 0.75
SCHEMBL6992317 0.75 TSHR (0.39) MEN1KMT2ATSHRALDH1A1
SCHEMBL19194672 0.74 TSHR (0.41) MEN1KMT2ATSHRALDH1A1
SCHEMBL12790405 0.72 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1CHRNB2
SCHEMBL5322174 0.71 MEN1 (0.50) MEN1KMT2ATSHRALDH1A1LTA4H
SCHEMBL6140903 0.70
SCHEMBL12860905 0.70 CA12 (0.41) MEN1KMT2ATSHRCHRNB2CHRNA4
SCHEMBL27378304 0.70 HSD17B10 (0.41) MEN1KMT2ACHRNB2CHRNA4LTA4H

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