SCHEMBL6544667

SCHEMBL6544667

NC(=O)NC(COc1ccccc1)(C(=O)O)C(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PARP10 Q53GL7 1/20 0.37
BCAT2 O15382 1/20 0.37
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
SCN4A P35499 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35

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
SCHEMBL5309684 0.73 ALPL (0.44) ALDH1A1PARP10ALOX15MTNR1AMTNR1B
SCHEMBL12468595 0.69 PARP10 (0.39) ALDH1A1PARP10BCAT2MEN1KMT2A
SCHEMBL1078041 0.68 ALDH1A1 (0.43) ALDH1A1PARP10NPC1RAB9A
SCHEMBL12099900 0.67 PKM (0.39) ALDH1A1PARP10MEN1KMT2APKM
SCHEMBL1019370 0.66 ALOX15 (0.50) ALDH1A1PARP10MEN1KMT2ACYP1A2
SCHEMBL27650813 0.65 ALOX15 (0.46) ALDH1A1PARP10MEN1KMT2ACYP1A2
SCHEMBL8468005 0.65 ALOX15 (0.48) ALDH1A1PARP10MEN1KMT2ACYP1A2
SCHEMBL3465226 0.63 PPARA (0.47) ALDH1A1ALOX15PKMMTNR1AMTNR1B
SCHEMBL2517194 0.63 ALDH1A1 (0.60) ALDH1A1PARP10ALOX15PKMMTNR1A
SCHEMBL5724626 0.62 PPARA (0.58) CYP2C9ALOX15

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
EP-1372627-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2004-01-02 EP disclosed
WO-2002076443-A1 USE OF BREAKERS OF ADVANCED GLYCATION ENDPRODUCTS FOR TREATING DELETERIOUS EFFECTS OF AGING AND DEBILITATING DISEASES CITY OF HOPE (US) 2002-10-03 WO disclosed