SCHEMBL9500319

SCHEMBL9500319

CC(C)c1cccc2[nH]c(OC(=O)O)cc(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
DAO P14920 1/20 0.34
PARP1 P09874 1/20 0.33
KMT2A Q03164 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
SCHEMBL9499661 0.80 IMPDH2 (0.40) THRBPARP1KMT2A
SCHEMBL9501069 0.80 DAO (0.40) CDK1CDK2DAOKMT2A
SCHEMBL9500387 0.79 FEN1 (0.43) DAOPARP1
SCHEMBL9452213 0.79 GPR35 (0.53) THRATHRBKMT2A
SCHEMBL9499677 0.76 PLA2G2A (0.38) DAOKMT2A
SCHEMBL9500238 0.76 PARP1 (0.31) PARP1KMT2A
SCHEMBL9501326 0.76 MAP2K1 (0.35) PARP1
SCHEMBL9499289 0.76 KDM4E (0.37) PARP1KMT2A
SCHEMBL9502885 0.75 PDE2A (0.42) DAO
SCHEMBL9392651 0.74 DAO (0.49) CDK1CCNA2CDK2DAO

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-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed