SCHEMBL1979004

SCHEMBL1979004

CCOC(=O)OCOc1ccccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
PTGDR2 Q9Y5Y4 1/20 0.54
USP2 O75604 1/20 0.48
MAPT P10636 4/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PLIN1 O60240 1/20 0.44
POLB P06746 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 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
SCHEMBL1667797 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL1978896 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL5883219 0.80 USP2 (0.72) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL12749651 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL535646 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL31401930 0.78 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL30972130 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL1276592 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL2903656 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2
SCHEMBL28713393 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HPGDHTTPTGDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509569-B1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RES & DEV (FR) 2013-12-04 EP disclosed
EP-2509569-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070171-A1 DERIVATIVES OF NOVEL PEROXIDES, METHOD OF PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AS WELL AS IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 WO disclosed