SCHEMBL8993367

SCHEMBL8993367

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PSMB5 P28074 1/20 0.36
CTSD P07339 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
FAAH O00519 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8993185 0.84 ALDH1A1 (0.41) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8993193 0.81 L3MBTL1 (0.33) L3MBTL1ALDH1A1
SCHEMBL24462465 0.70 CASP2 (0.48) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL81188 0.68 TSHR (0.39) L3MBTL1
SCHEMBL29287858 0.68 PSMB5 (0.40) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL13632799 0.67 CASP2 (0.45) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15833972 0.67 CASP2 (0.38) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL28954298 0.66 CASP2 (0.48) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL12122298 0.66 CASP2 (0.44) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL1347631 0.66 CASP2 (0.44) CASP2HDAC3HDAC1HDAC2HDAC8

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