SCHEMBL7679388

SCHEMBL7679388

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
CASP1 P29466 1/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 2/20 0.37
HPGD P15428 2/20 0.37
PPARG P37231 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
ACE P12821 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8172685 0.90 MAPT (0.45) CNR2MAPK1POLBATMMEN1
SCHEMBL8165426 0.88 CNR2 (0.37) CNR2MAPK1POLBATMMEN1
SCHEMBL7680872 0.87 CASP1 (0.49) CNR2CASP1
SCHEMBL7683929 0.85 CASP1 (0.58) CASP1
SCHEMBL7686915 0.84 CASP1 (0.48) CASP1
SCHEMBL7680032 0.83 CASP1 (0.48) CNR2CASP1
SCHEMBL7679948 0.83 HDAC6 (0.42) CNR2CASP1POLBHPGDNPC1
SCHEMBL7683911 0.83 MAPT (0.46) CASP1MAPT
SCHEMBL7687015 0.83 CASP1 (0.46) CNR2CASP1MEN1KMT2AMAPT
SCHEMBL7683989 0.82 CASP1 (0.51) CNR2CASP1

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 5 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 claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
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