SCHEMBL13869703

SCHEMBL13869703

CCC(C)(C)C(=O)OCC(O)CN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
ABCB1 P08183 9/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL12135548 0.79 HMGCR (0.40) MEN1KMT2AKDM4E
SCHEMBL27266707 0.79 LMNA (0.40) PKMMEN1KMT2APOLBKDM4E
SCHEMBL761032 0.78 PKM (0.56) PKMABCB1MEN1KMT2APOLB
SCHEMBL12026674 0.76 NPSR1 (0.58) POLBKDM4EL3MBTL1
SCHEMBL8986670 0.76 HMGCR (0.41) MEN1KMT2AKDM4E
SCHEMBL12026672 0.75 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12026670 0.75 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL10056780 0.75 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL28123602 0.74 PKM (0.56) PKMABCB1MEN1KMT2APOLB
SCHEMBL10110611 0.74 HMGCR (0.36) PKMMEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514500-B2 Complexing resins and method for preparation thereof COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2009-04-07 US disclosed