SCHEMBL6547560

SCHEMBL6547560

O=C(O)C(Br)CCN1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
ALDH1A1 P00352 7/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 3/20 0.34
FGF2 P09038 1/20 0.34
RAB9A P51151 1/20 0.33
ALOX12 P18054 1/20 0.33
HPGD P15428 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 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
SCHEMBL6547554 1.00 POLB (0.39) POLBLCKPPARDZDHHC20ZDHHC2
SCHEMBL7461005 0.89 LCK (0.43) POLBLCKPPARDZDHHC20ZDHHC2
SCHEMBL7461000 0.89 LCK (0.43) POLBLCKPPARDZDHHC20ZDHHC2
SCHEMBL7460994 0.89 LCK (0.43) POLBLCKPPARDZDHHC20ZDHHC2
SCHEMBL3132426 0.80 ALDH1A1 (0.39) LCKPPARDZDHHC20ZDHHC2ALDH1A1
SCHEMBL6546386 0.78 TET2 (0.40) POLBALDH1A1PKMMEN1KMT2A
SCHEMBL6546396 0.78 TET2 (0.40) POLBALDH1A1PKMMEN1KMT2A
SCHEMBL3938395 0.77 CYP1A2 (0.47) POLBALDH1A1PKMMEN1KMT2A
SCHEMBL7079225 0.74 ALDH1A1 (0.41) POLBALDH1A1TSHRPKMMEN1
SCHEMBL2464552 0.73 POLB (0.42) POLBALDH1A1PKMMEN1KMT2A

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
US-6818622-B2 ADMINISTERING OVER A PERIOD OF AT LEAST THREE MONTHS A MATRIX METALLOPROTEINASE INHIBITOR FOR TREATMENT OF A PATIENT HAVING CANCER OR INFLAMMATION DARWIN DISCOVERY LTD. (GB) 2004-11-16 US disclosed
EP-0981366-B1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LTD (GB) 2004-01-21 EP disclosed
US-20020035065-A1 Selective MMP inhibitors having reduced side-effects BIRD JOHN (GB) 2002-03-21 US disclosed
EP-0981366-A1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS Darwin Discovery Limited (GB) 2000-03-01 EP disclosed
WO-1998039024-A1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LIMITED (GB) 1998-09-11 WO disclosed