SCHEMBL11110356

SCHEMBL11110356

CC(=O)NCCCS([NH])(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
PAOX Q6QHF9 3/20 0.47
ADRA1A P35348 1/20 0.45
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F13A1 P00488 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.33
FOLH1 Q04609 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL4620051 0.86 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL41983 0.80 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8067563 0.80 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL6570666 0.78 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL7639758 0.78 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL2288196 0.78 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL347087 0.78 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL17599929 0.78 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL26145075 0.78 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
Acamprosate SCHEMBL34472814 0.78 KDM4E (0.62) KDM4EMAPK1HIF1APAOXADRA1A

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
US-4448722-A ACID ADDITION SALTS OF COPPER PHTHALOCYANINE-USED IN DYEING CELLULOSE THE HILTON-DAVIS CHEMICAL CO. (US) 1984-05-15 US disclosed
US-4379710-A Novel compositions and processes STERLING DRUG INC. (US) 1983-04-12 US disclosed