SCHEMBL21983371

SCHEMBL21983371

CC(=O)CCC(N)(CCC(=O)O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
SLC15A2 Q16348 1/20 0.52
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
THRB P10828 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
EGLN1 Q9GZT9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36

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
SCHEMBL12113226 0.90 ALDH1A1 (0.50) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL7520399 0.87 KMT2A (0.52) LMNASLC15A2ALDH1A1CYP1A2THRB
Hydrochloric Acid SCHEMBL28384994 0.85 KMT2A (0.50) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL16750677 0.84 LMNA (0.38) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL22736983 0.81 ALDH1A1 (0.41) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL28164678 0.78 ALDH1A1 (0.61) LMNAALDH1A1CYP1A2THRBKMT2A
SCHEMBL6263445 0.78 ALDH1A1 (0.43) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL10629764 0.76 LMNA (0.56) LMNAALDH1A1CYP1A2THRBKMT2A
SCHEMBL26971247 0.76 LMNA (0.52) LMNASLC15A2ALDH1A1CYP1A2THRB
SCHEMBL3838466 0.75 THRB (0.46) LMNAALDH1A1CYP1A2THRBKMT2A

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-10648026-B2 Raman cluster tagged molecules for biological imaging THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-12 US disclosed