SCHEMBL9848642

SCHEMBL9848642

COC(=O)C(Cc1cccc2ccccc12)(Cc1cccc2ccccc12)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MTNR1A P48039 2/20 0.47
SSTR4 P31391 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTPN1 P18031 1/20 0.44
ACP3 P15309 1/20 0.44
PLK1 P53350 1/20 0.44
CETP P11597 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10867916 0.84 KMT2A (0.51) ATMTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL9399530 0.83 ATM (0.49) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL9848710 0.82 ATM (0.48) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL7317433 0.81 TDP1 (0.61) TDP1L3MBTL1KDM4EALDH1A1MTNR1A
SCHEMBL10868045 0.79 ALDH1A1 (0.48) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8871911 0.75 TDP1 (0.54) TDP1L3MBTL1KDM4EMTNR1AMEN1
SCHEMBL29503119 0.75 L3MBTL1 (0.68) ATMTDP1L3MBTL1MAPK8MAPK9
SCHEMBL709403 0.75 L3MBTL1 (0.68) ATMTDP1L3MBTL1MAPK8MAPK9
Methoxymethane SCHEMBL11047646 0.74 MAPT (0.61) ATMTDP1KDM4EALDH1A1MTNR1A
SCHEMBL29277098 0.74 KMT2A (0.50) ATMTDP1L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0438873-A1 Inhibitor of ribonucleotide reductase of herpes viruses MERCK & CO. INC. (US) 1991-07-31 EP disclosed