SCHEMBL5156474

SCHEMBL5156474

O=C1CCC(=O)N1C(Br)(C(=O)O)C(O)Br

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL29876297 0.73 CA12 (0.36) CA12CA1CA9ALDH1A1PKM
SCHEMBL1010019 0.71 CA12 (0.35) CA12CA1CA9ALDH1A1PKM
SCHEMBL3132415 0.69 CA12 (0.34) CA12CA1CA9ALDH1A1PKM
SCHEMBL5156471 0.69 ALDH1A1 (0.34) CA12CA1CA9ALDH1A1PKM
SCHEMBL6675625 0.67 CA12 (0.32) CA12CA1CA9ALDH1A1PKM
SCHEMBL7209074 0.66 POLB (0.35) CA12CA1CA9ALDH1A1
SCHEMBL16875688 0.66 CA12 (0.33) CA12CA1CA9
SCHEMBL230240 0.66 CA12 (0.33) CA12CA1CA9
SCHEMBL23781544 0.65 CPT2 (0.34) ALDH1A1PKM
SCHEMBL913291 0.64 POLB (0.34) CA12CA1CA9ALDH1A1

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-0942996-B8 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY UNIV SOUTHERN CALIFORNIA (US) 2007-02-21 EP claimed
EP-0942996-A1 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY Diatide, Inc. (US) 1999-09-22 EP claimed
WO-1998024917-A1 THROMBOLYTIC AGENTS WITH ANTITHROMBOTIC ACTIVITY DIATIDE, INC. (US) 1998-06-11 WO claimed
EP-0973552-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS Marsden, John Christopher (GB) 2000-01-26 EP disclosed
WO-1998018501-A2 IMPROVEMENTS IN OR RELATING TO DIAGNOSTIC/THERAPEUTIC AGENTS MARSDEN, JOHN, CHRISTOPHER (GB) 1998-05-07 WO disclosed