SCHEMBL18548754

SCHEMBL18548754

NC(=O)OCCC(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 5/20 0.50
BCAT2 O15382 1/20 0.50
RIPK1 Q13546 1/20 0.44
MAPK1 P28482 1/20 0.44
AOC3 Q16853 3/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15824216 0.91 LMNA (0.57) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL27382463 0.85 RIPK1 (0.47) SMN1; SMN2LMNABCAT2RIPK1MAPK1
SCHEMBL611333 0.84 LMNA (0.54) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL25362745 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL1649360 0.84 RIPK1 (0.46) SMN1; SMN2CYP1A2CYP2D6LMNABCAT2
SCHEMBL25362743 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL16015311 0.84 CYP1A2 (0.58) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28508012 0.83 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28513886 0.83 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28508013 0.83 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944850-B2 Carbon nanostructure and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-04-17 US claimed
US-20170058193-A1 CARBON NANOSTRUCTURE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-03-02 US claimed
US-9944850-B2 Carbon nanostructure and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-04-17 US disclosed
US-20170058193-A1 CARBON NANOSTRUCTURE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-03-02 US disclosed
CN-101128509-B Polycarbonate with good wettability BAYER MATERIALSCIENCE AG 2011-06-08 CN disclosed
CN-101128509-A Polycarbonate with good wettability BAYER MATERIALSCIENCE AG (DE) 2008-02-20 CN disclosed