SCHEMBL9848708

SCHEMBL9848708

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.60
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP9 P14780 2/20 0.49
TACR1 P25103 1/20 0.49
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL6719502 0.86 CTNNB1 (0.59) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL8873333 0.86 TDP1 (0.52) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL15314103 0.86 TDP1 (0.52) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL1902233 0.84 ATM (0.50) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL6018283 0.84 ATM (0.50) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL15446213 0.84 ATM (0.50) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL6018293 0.84 ATM (0.50) CTNNB1ATML3MBTL1TDP1KDM4E
SCHEMBL7896757 0.84 ATM (0.50) CTNNB1ATML3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL7066174 0.83 ATM (0.49) CTNNB1ATML3MBTL1TDP1KDM4E
Hydrochloric Acid SCHEMBL9632609 0.83 ATM (0.49) CTNNB1ATML3MBTL1TDP1KDM4E

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