SCHEMBL1979003

SCHEMBL1979003

CCOC(=O)OCOc1ccccc1[C]=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MEN1 O00255 1/20 0.35
PLIN1 O60240 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PLIN5 Q00G26 1/20 0.35
KMT2A Q03164 1/20 0.35
ABHD5 Q8WTS1 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
SCHEMBL13268433 0.83 TSHR (0.42) ALDH1A1TSHRL3MBTL1GLATDP1
SCHEMBL6539052 0.80 USP2 (0.56) ALDH1A1TSHRL3MBTL1GLANPC1
SCHEMBL535645 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1GLATDP1GAA
SCHEMBL28459942 0.77 TDP1 (0.46) ALDH1A1TSHRL3MBTL1TDP1GAA
SCHEMBL1979004 0.76 ALDH1A1 (0.54) ALDH1A1L3MBTL1TDP1NPC1RAB9A
SCHEMBL1983055 0.76 TSHR (0.50) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL10075116 0.74 TDP1 (0.53) ALDH1A1TSHRL3MBTL1TDP1GAA
SCHEMBL15789912 0.72 ELANE (0.44) ALDH1A1TSHRTDP1MEN1PLIN1
SCHEMBL14919231 0.72 KMT2A (0.48) ALDH1A1TSHRL3MBTL1GLAGAA
SCHEMBL21461984 0.72 SMN1; SMN2 (0.49) ALDH1A1TSHRL3MBTL1GAASMN1; SMN2

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