SCHEMBL5156471

SCHEMBL5156471

O=C(O)C(Br)C(O)(Br)N1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL1010019 0.71 CA12 (0.35) ALDH1A1PKMCA12CA1CA9
SCHEMBL5156474 0.69 CA12 (0.32) ALDH1A1PKMCA12CA1CA9
SCHEMBL29876297 0.69 CA12 (0.36) ALDH1A1PKMCA12CA1CA9
SCHEMBL230240 0.66 CA12 (0.33) CA12CA1CA9
SCHEMBL16875688 0.66 CA12 (0.33) CA12CA1CA9
SCHEMBL3132415 0.65 CA12 (0.34) ALDH1A1PKMCA12CA1CA9
SCHEMBL23781544 0.65 CPT2 (0.34) ALDH1A1PKM
SCHEMBL526394 0.64 ALDH1A1 (0.43) ALDH1A1PKMCA12CA1CA9
SCHEMBL6675625 0.63 CA12 (0.32) ALDH1A1PKMCA12CA1CA9
SCHEMBL657777 0.63 ALDH1A1 (0.32) ALDH1A1PKM

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