SCHEMBL7064882

SCHEMBL7064882

CC(=O)C1OC(=O)N(c2ccccc2)C1(C)N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.39
APBA1 Q02410 3/20 0.39
MAOA P21397 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD11B1 P28845 1/20 0.32
DHFR P00374 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MT-CO2 P00403 1/20 0.31
ALOX5 P09917 1/20 0.31

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
SCHEMBL4791036 0.63 CACNA1B (0.46) CACNA1BAPBA1MAOASMN1; SMN2ALDH1A1
SCHEMBL12635405 0.62 GRM2 (0.51) MAOA
SCHEMBL3534265 0.61 MAOA (0.36) CACNA1BAPBA1MAOASMN1; SMN2ALDH1A1
SCHEMBL26733431 0.58 AKR1B1 (0.40) SMN1; SMN2HTTALDH1A1CYP2C9CYP2C19
SCHEMBL10698564 0.58 MAOA (0.42) MAOASMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL1461676 0.57 AR (0.47) CACNA1BAPBA1ALDH1A1CYP1A2CYP2C9
SCHEMBL11469490 0.57 CACNA1B (0.47) CACNA1BAPBA1MAOAALDH1A1CYP1A2
SCHEMBL6224475 0.57 MMP13 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19GAA
SCHEMBL22054799 0.57 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9731036 0.56 MAOA (0.43) CACNA1BAPBA1MAOASMN1; SMN2ALDH1A1

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
WO-2004026848-A1 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPERATION AND THEIR USE AS ANTIMYCOBACTERIAL AGENTS LUPIN LIMITED (IN) 2004-04-01 WO disclosed