SCHEMBL8993185

SCHEMBL8993185

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PSMB5 P28074 2/20 0.41
CASP2 P42575 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CTSD P07339 1/20 0.38
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 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
SCHEMBL8993367 0.84 CASP2 (0.39) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL8993376 0.78 KMT2A (0.37) ALDH1A1KMT2AATMMTNR1AMTNR1B
SCHEMBL22858807 0.74 ALDH1A1 (0.48) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL22162633 0.74 ALDH1A1 (0.48) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL22858823 0.74 ALDH1A1 (0.48) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL16181354 0.71 ALDH1A1 (0.67) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL8847608 0.68 CNR1 (0.57) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL13632799 0.68 CASP2 (0.45) ALDH1A1CASP2HDAC3HDAC1HDAC2
SCHEMBL11441214 0.68 CASP2 (0.46) ALDH1A1PSMB5CASP2HDAC3HDAC1
SCHEMBL24462465 0.67 CASP2 (0.48) ALDH1A1PSMB5CASP2HDAC3HDAC1

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