SCHEMBL8993376

SCHEMBL8993376

CC(=O)NCN(CC(C)O)CC(C)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PAOX Q6QHF9 2/20 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
SCHEMBL8993193 0.78 L3MBTL1 (0.33) KDM4EMAPK1HIF1AALDH1A1TSHR
SCHEMBL8993185 0.78 ALDH1A1 (0.41) KMT2AATMALDH1A1MTNR1AMTNR1B
SCHEMBL12845240 0.77 KDM4E (0.48) KMT2AKDM4EMAPK1HIF1AALDH1A1
Acetic Acid SCHEMBL7780427 0.75 KDM4E (0.39) KMT2AATMKDM4EALDH1A1TSHR
Acetic Acid SCHEMBL22788463 0.75 KDM4E (0.39) KMT2AATMKDM4EALDH1A1TSHR
SCHEMBL12780609 0.72 KDM4E (0.43) KMT2AKDM4EMAPK1HIF1AALDH1A1
SCHEMBL20756674 0.71 KMT2A (0.42) KMT2AATMKDM4EALDH1A1TSHR
SCHEMBL28985 0.71 TSHR (0.44) KMT2AATMKDM4EMAPK1ALDH1A1
SCHEMBL7099123 0.71 TSHR (0.44) KMT2AATMKDM4EMAPK1ALDH1A1
SCHEMBL8908158 0.71 TSHR (0.44) KMT2AATMKDM4EMAPK1ALDH1A1

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-8187703-B2 Fiber-reinforced polymer composites containing functionalized carbon nanotubes WILLIAM MARSH RICE UNIVERSITY (US) 2012-05-29 US disclosed
US-20100143701-A1 Fiber-Reinforced Polymer Composites Containing Functionalized Carbon Nanotubes WILLIAM MARSH RICE UNIVERSITY 2010-06-10 US disclosed