SCHEMBL7701528

SCHEMBL7701528

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(Cc2nc3ccccc3[nH]2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGAV P06756 2/20 0.46
ITGA2B P08514 1/20 0.46
CASP1 P29466 16/20 0.45
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRIN2B Q13224 1/20 0.41

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
Hydrochloric Acid SCHEMBL7696251 0.99 ITGB3 (0.45) ITGB3ITGAVITGA2BCASP1ALDH1A1
SCHEMBL7675818 0.87 CASP1 (0.53) CASP1
SCHEMBL7686418 0.86 CASP1 (0.46) ITGB3ITGAVCASP1
Hydrochloric Acid SCHEMBL7696933 0.85 CASP1 (0.46) ITGB3ITGAVCASP1
SCHEMBL7675682 0.83 CASP1 (0.45) CASP1MAPK1
SCHEMBL7697303 0.83 ITGB3 (0.46) ITGB3ITGAVITGA2BCASP1
SCHEMBL7684639 0.83 CASP1 (0.56) CASP1
Hydrochloric Acid SCHEMBL7698310 0.83 ITGB3 (0.45) ITGB3ITGAVITGA2BCASP1
SCHEMBL7683447 0.82 ITGB3 (0.46) ITGB3ITGAVCASP1
SCHEMBL7700847 0.81 CASP1 (0.48) CASP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 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-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