SCHEMBL7697969

SCHEMBL7697969

O=C(O)CC(NC(=O)OCCc1nccs1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.38
CNR2 P34972 2/20 0.35
CTSA P10619 6/20 0.34
ITGA4 P13612 1/20 0.34
MAPT P10636 2/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP3 P42574 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 1/20 0.32

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
SCHEMBL7684373 0.88 CASP1 (0.39) CASP1CNR2ITGA4MAPTTHRB
SCHEMBL7680032 0.86 CASP1 (0.48) CASP1CNR2CASP3
SCHEMBL7683927 0.86 CASP1 (0.41) CASP1CNR2MAPTTHRBALDH1A1
SCHEMBL7680872 0.85 CASP1 (0.49) CASP1CNR2CASP3
SCHEMBL7682110 0.85 CASP1 (0.42) CASP1CNR2MAPTTHRBCASP3
SCHEMBL7684191 0.84 ALDH1A1 (0.41) CASP1CNR2CTSAMAPTALDH1A1
SCHEMBL7680363 0.83 CASP1 (0.47) CASP1CNR2SMN1; SMN2CASP3
SCHEMBL8177183 0.83 CASP1 (0.40) CASP1CNR2MAPTALDH1A1SMN1; SMN2
SCHEMBL7683599 0.83 CASP1 (0.50) CASP1CNR2CASP3
SCHEMBL7683810 0.83 CASP1 (0.46) CASP1CNR2CASP3

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 1 patent. 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