SCHEMBL1332756

SCHEMBL1332756

NC(=O)CC[C@H](N)C([15NH2])=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.68
BLM P54132 1/20 0.68
PMP22 Q01453 1/20 0.68
KMT2A Q03164 1/20 0.68
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44

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
SCHEMBL1262932 1.00 ALOX15 (0.68) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL240508 1.00 ALOX15 (0.68) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL240509 1.00 ALOX15 (0.68) ALOX15BLMPMP22KMT2ADPP4
Hydrochloric Acid SCHEMBL2962431 0.97 ALOX15 (0.65) ALOX15BLMPMP22KMT2ADPP4
Hydrochloric Acid SCHEMBL27609113 0.97 ALOX15 (0.65) ALOX15BLMPMP22KMT2ADPP4
Bromide SCHEMBL11569711 0.97 ALOX15 (0.65) ALOX15BLMPMP22KMT2ADPP4
Sulfuric Acid SCHEMBL28398263 0.91 PMP22 (0.58) ALOX15BLMPMP22KMT2ADPP4
SCHEMBL8209380 0.89 KMT2A (0.54) ALOX15BLMPMP22KMT2ADPP4
Glutamine SCHEMBL9164032 0.85 PMP22 (0.76) ALOX15BLMPMP22KMT2AGRM8
SCHEMBL9823333 0.84 BLM (0.50) ALOX15BLMPMP22KMT2ADPP4

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-9673030-B2 Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry EMORY UNIVERSITY (US) 2017-06-06 US disclosed
US-20110282587-A1 COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY EMORY UNIVERSITY (US) 2011-11-17 US disclosed