SCHEMBL7686974

SCHEMBL7686974

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(C(=S)c2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 15/20 0.46
CASP3 P42574 2/20 0.45
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7683372 0.85 CASP1 (0.54) CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL7676856 0.83 CASP1 (0.46) CASP1CASP3
SCHEMBL7435530 0.82 CYP1A2 (0.63) CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL7686427 0.82 CASP1 (0.48) CASP1CASP3PPARA
SCHEMBL7429152 0.81 CYP1A2 (0.60) CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL7431720 0.80 CASP1 (0.55) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7443101 0.80 CASP1 (0.53) CASP1CASP3CYP1A2CYP2C9CYP2C19
SCHEMBL7686976 0.80 CASP1 (0.51) CASP1CASP3PPARA
SCHEMBL7432412 0.80 CYP1A2 (0.57) CASP1CYP1A2CYP2C9CYP2C19
SCHEMBL7687234 0.80 CASP1 (0.52) CASP1CASP3PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed