SCHEMBL9240409

SCHEMBL9240409

CCOC([C]=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
LTA4H P09960 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
PPARD Q03181 1/20 0.35
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9238203 0.85 MTNR1A (0.37) LTA4HMTNR1AMTNR1BPPARGPPARA
SCHEMBL7661580 0.82 LTA4H (0.39) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL28141131 0.81 LTA4H (0.37) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL947518 0.79 CA4 (0.41) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL9715374 0.76 PPARA (0.45) L3MBTL1MTNR1AMTNR1BTDP1LMNA
SCHEMBL2478675 0.75 LTA4H (0.41) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL4865190 0.74 THRB (0.43) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL945944 0.73 CHRM1 (0.41) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL997422 0.72 LMNA (0.46) L3MBTL1LTA4HMTNR1AMTNR1BTDP1
SCHEMBL1682635 0.72

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-0675895-A1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER. FABRE PIERRE COSMETIQUE (FR) 1995-10-11 EP claimed
WO-1994014829-A1 ETOPOSIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A DRUG AND IN THE PREPARATION OF A DRUG FOR TREATING CANCER PIERRE FABRE MEDICAMENT (FR) 1994-07-07 WO claimed