SCHEMBL7199633

SCHEMBL7199633

CCCCC(CC)CC(CC(CC)CCCC)(NC(N)=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC4 P56524 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28331849 0.83 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL28906227 0.76 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL15269001 0.75 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL28221096 0.74 ALDH1A1 (0.43) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL4454455 0.74 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL3754503 0.74 GAA (0.42) ALDH1A1CYP3A4LMNAHTTL3MBTL1
SCHEMBL17727653 0.74 ALDH1A1 (0.45) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL28906228 0.72 ALDH1A1 (0.44) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL28331861 0.71 ALDH1A1 (0.46) ALDH1A1CA2CYP3A4KDM4EHDAC3
SCHEMBL17715572 0.70 CYP1A2 (0.47) CYP3A4HDAC3HDAC1HDAC2HDAC8

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-20030092838-A1 Supramolecular polymer composition, a method of manufacturing it, and a cable including such a composition NEXANS (FR) 2003-05-15 US disclosed
EP-1300447-A1 Supramolecular polymeric composition, method for production and cable comprising said composition Nexans (FR) 2003-04-09 EP disclosed