SCHEMBL7441832

SCHEMBL7441832

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CONC(=O)Cc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 20/20 1.00

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
SCHEMBL7432747 0.91 CASP1 (0.83) CASP1
SCHEMBL7413782 0.87 CASP1 (1.00) CASP1
SCHEMBL7413783 0.87 CASP1 (1.00) CASP1
SCHEMBL8061773 0.85 CASP1 (0.79) CASP1
SCHEMBL7422366 0.82 CASP1 (0.85) CASP1
SCHEMBL7412772 0.81 CASP1 (1.00) CASP1
SCHEMBL7413821 0.80 CASP1 (0.84) CASP1
SCHEMBL7414525 0.79 CASP1 (0.68) CASP1
SCHEMBL8059866 0.78 CASP1 (0.78) CASP1
SCHEMBL7422951 0.78 CASP1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998300-A1 METHODS AND COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
US-5919790-A ANTIINFLAMMATORY AGENT; THERAPY FOR STROKE, SEPTIC SHOCK;ALZHEIMER*S DISEASE WARNER-LAMBERT COMPANY (US) 1999-07-06 US disclosed
WO-1998041232-A2 COMPOSITIONS FOR MODULATING RESPONSIVENESS TO CORTICOSTEROIDS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed