SCHEMBL8561571

SCHEMBL8561571

CC(C)C[C@@H](CBr)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
AAK1 Q2M2I8 6/20 0.52
CTSK P43235 6/20 0.50
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSB P07858 1/20 0.50
CAPN1 P07384 1/20 0.47
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.40

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
SCHEMBL8560322 1.00 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL19227630 0.91 CA1 (0.58) CA1CA2CA7AAK1CTSK
SCHEMBL272780 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL21169229 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL15250454 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL5262474 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL1059380 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL4032796 0.86 CA1 (0.53) CA1CA2CA7AAK1CTSK
SCHEMBL2714283 0.84 CA1 (0.51) CA1CA2CA7AAK1CTSK
SCHEMBL7163787 0.84 CA1 (0.51) CA1CA2CA7AAK1CTSK

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
EP-0543861-B1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIOTECH PHARM (GB) 1998-10-14 EP disclosed
US-5276153-A Antagonist of platelet activating factor for bronchodilation BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-01-04 US disclosed
EP-0543861-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-06-02 EP disclosed
US-5180723-A Hypertensives, bronchodilators, antiedemic agents BRITISH BIO-TECHNOLOGY LIMITED (GB) 1993-01-19 US disclosed
WO-1992003422-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed