SCHEMBL7686491

SCHEMBL7686491

CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
CASP1 P29466 2/20 0.40
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
SCN9A Q15858 1/20 0.37
CTSL P07711 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
GAA P10253 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
ACE P12821 1/20 0.35

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
SCHEMBL8177154 0.90 MAPK1 (0.39) MAPK1POLBATMCASP1LMNA
SCHEMBL7683292 0.85 CASP1 (0.58) CASP1CASP3
SCHEMBL7680016 0.83 CASP1 (0.48) CASP1KDM4CCASP3
SCHEMBL7679388 0.82 CNR2 (0.40) MAPK1POLBATMCASP1LMNA
SCHEMBL7686569 0.82 CASP1 (0.47) CASP1CTSKCASP3
SCHEMBL7686951 0.81 CASP1 (0.46) CASP1CASP3
SCHEMBL7683677 0.81 CASP1 (0.50) CASP1CASP3
SCHEMBL7678223 0.81 CASP1 (0.54) CASP1CASP3
SCHEMBL8171644 0.81 CASP1 (0.41) CASP1LMNACYP3A4KDM4CCASP3
SCHEMBL7682065 0.81 CASP1 (0.40) CASP1HPGDMAPTNPSR1CYP3A4

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