SCHEMBL4936003

SCHEMBL4936003

CCCCCN(OCO)OCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
GBA1 P04062 1/20 0.34
THRB P10828 2/20 0.33
MAPT P10636 2/20 0.33
MGLL Q99685 1/20 0.33
GGPS1 O95749 1/20 0.33
FDPS P14324 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRM1 P35372 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
SCHEMBL9580791 0.98 DNM1 (0.44) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL9580815 0.98 DNM1 (0.44) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL9580808 0.98 DNM1 (0.44) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL976731 0.92 ALDH1A1 (0.36) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL977300 0.81 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL1288257 0.81 MEN1 (0.45) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL16389835 0.79 MEN1 (0.48) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL210932 0.79 MEN1 (0.48) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL624121 0.79 MEN1 (0.48) DNM1SMN1; SMN2TSHRLMNAALDH1A1
SCHEMBL9807738 0.79 MEN1 (0.48) DNM1SMN1; SMN2TSHRLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080066644-A1 Alkylmines, alkanolamine compounds, surfactants, a coloring agent and a solvent; combination results in decreased kogation SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-20 US claimed
EP-1900785-A1 Ink Composition for Inkjet Recording Samsung Electronics Co., Ltd. (KR) 2008-03-19 EP claimed
US-20080066644-A1 Alkylmines, alkanolamine compounds, surfactants, a coloring agent and a solvent; combination results in decreased kogation SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-20 US disclosed
EP-1900785-A1 Ink Composition for Inkjet Recording Samsung Electronics Co., Ltd. (KR) 2008-03-19 EP disclosed