SCHEMBL8179077

SCHEMBL8179077

CCOC(=O)CC(NC(=O)OCc1cccc2ccccc12)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP1 P29466 9/20 0.40
TGM2 P21980 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL8177180 0.92 MAPT (0.44) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL7680024 0.91 CASP1 (0.48) CASP1TGM2CNR2
SCHEMBL8171877 0.87 ALDH1A1 (0.43) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL8177175 0.85 MAPT (0.43) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL8177174 0.85 CASP1 (0.42) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL7687015 0.83 CASP1 (0.46) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL8171546 0.83 MAPT (0.43) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL8172685 0.83 MAPT (0.45) MAPTTHRBALDH1A1SMN1; SMN2POLB
SCHEMBL8176656 0.83 CASP1 (0.44) MAPTTHRBALDH1A1SMN1; SMN2CASP1
SCHEMBL8178690 0.82 MAPT (0.49) MAPTTHRBALDH1A1SMN1; SMN2POLB

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
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed