SCHEMBL16229823

SCHEMBL16229823

C=C(C)C(=O)NCCC[N+](C)(C)CC(O)CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
PSMD14 O00487 1/20 0.30
PLA2G1B P04054 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
ATG4B Q9Y4P1 1/20 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
SCHEMBL18156578 0.89 KDM4E (0.32) CBLBKDM4E
SCHEMBL12985168 0.86 SLC22A16 (0.36) CBLBKMT2AATMPSMD14PLA2G1B
Hydrochloric Acid SCHEMBL4369333 0.85 MAPT (0.35) CBLBKMT2AATMPSMD14PLA2G1B
SCHEMBL10337176 0.85 TGFBR1 (0.35) CBLBKMT2AATMPSMD14PLA2G1B
Hydrochloric Acid SCHEMBL10337213 0.83 TGFBR1 (0.34) CBLBKMT2AATMPSMD14PLA2G1B
SCHEMBL7559782 0.83 KMT2A (0.35) CBLBKDM4EKMT2AATM
SCHEMBL23565477 0.80 KMT2A (0.31) KMT2AATM
SCHEMBL21716177 0.80 TSHR (0.41) KMT2AATM
SCHEMBL6979509 0.80 KMT2A (0.31) KMT2AATM
SCHEMBL14443964 0.80 SLC22A16 (0.32) KMT2AATM

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-8883262-B2 Modification of solid surfaces by application of polymer associations thereon RHODIA OPERATIONS (FR) 2014-11-11 US disclosed