SCHEMBL6544670

SCHEMBL6544670

CC(C)(Oc1ccccc1NC(=O)Nc1ccccc1Cl)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ RAB9A P51151 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ LMNA P02545 4/20 0.54
▸ MEN1 O00255 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK14 Q16539 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ PPIA P62937 1/20 0.47
▸ GRIK1 P39086 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL16568994 0.89 L3MBTL1 (0.53) L3MBTL1RAB9ANPC1LMNAMEN1
SCHEMBL12099902 0.87 DHODH (0.56) L3MBTL1RAB9ANPC1LMNAMEN1
SCHEMBL9561356 0.83 MAPT (0.67) L3MBTL1RAB9ANPC1LMNAMEN1
SCHEMBL5309687 0.81 ALDH1A1 (0.54) L3MBTL1RAB9ALMNAMAPTKMT2A
SCHEMBL1046455 0.80 ALDH1A1 (0.60) L3MBTL1MEN1MAPTKMT2AKDM4E
SCHEMBL29195871 0.79 ALDH1A1 (0.58) L3MBTL1MEN1MAPTKMT2AKDM4E
SCHEMBL14975400 0.78 NPC1 (0.61) L3MBTL1RAB9ANPC1LMNAMEN1
SCHEMBL12017475 0.77 KDM4E (0.57) L3MBTL1MEN1MAPTKMT2AKDM4E
SCHEMBL10458447 0.76 KDM4E (0.72) RAB9ANPC1LMNAMEN1MAPT
SCHEMBL14976588 0.75 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1LMNAMEN1

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
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