SCHEMBL8069407

SCHEMBL8069407

[O]CCOC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
ALOX15 P16050 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP19A1 P11511 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8646552 0.90 THRB (0.47) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL16814873 0.84 TDP1 (0.52) TDP1L3MBTL1ALDH1A1TSHR
SCHEMBL6754012 0.84 THRB (0.43) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL28670261 0.84 THRB (0.43) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL6751546 0.84 THRB (0.43) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL288157 0.84 ALDH1A1 (0.52) MAPTTDP1KDM4EL3MBTL1ATM
Ammonia Solution, Strong SCHEMBL27467368 0.82 ALDH1A1 (0.50) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL575071 0.82 MAPT (0.41) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL321480 0.82 ALDH1A1 (0.41) MAPTTDP1KDM4EL3MBTL1ATM
SCHEMBL1598801 0.82 LMNA (0.56) MAPTMTNR1AMTNR1BHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735110-B1 Dye mixtures containing a hydroxypyridone azo dye DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-07-12 EP disclosed
EP-0735110-A1 Dye mixtures containing a hydroxypyridone azo dye DyStar Japan Ltd. (JP) 1996-10-02 EP disclosed
EP-0232623-B1 1-CARBACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
US-4892942-A 1-CARBA (DETHIA)CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1990-01-09 US disclosed
US-4791106-A 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1988-12-13 US disclosed
EP-0232623-A1 1-Carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1987-08-19 EP disclosed
US-4536512-A 5-(2,3-Dihydro-1H-pyrrolizin-5-oyl)-2,3-dihydro-1H-pyrrolizine-1-alkanoic or carboxylic acids and use thereof as anti-inflammatory and analgesic agents MERCK & CO., INC. (US) 1985-08-20 US disclosed
US-4533671-A 5-(2,3-Dihydro-1H-pyrrolizin-5-oyl)-2-alkanoic or carboxylic acids and analogs as anti-inflammatory and analgesic agents MERCK & CO., INC. (US) 1985-08-06 US disclosed