SCHEMBL6546709

SCHEMBL6546709

CC(=O)SC(CCN1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.36
MMP9 P14780 9/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
FGF2 P09038 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL6546698 1.00 MMP2 (0.36) MMP2MMP9POLBALDH1A1HTT
SCHEMBL7461692 0.91 SMN1; SMN2 (0.35) MMP2MMP9POLBALDH1A1HTT
SCHEMBL7461694 0.91 SMN1; SMN2 (0.35) MMP2MMP9POLBALDH1A1HTT
SCHEMBL7608470 0.76 MMP2 (0.40) MMP2MMP9KMT2A
SCHEMBL3938395 0.74 CYP1A2 (0.47) POLBALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL9568719 0.72 TSHR (0.37) ALDH1A1SMN1; SMN2MEN1KMT2APKM
SCHEMBL6546386 0.72 TET2 (0.40) POLBALDH1A1HTTSMN1; SMN2FGF2
SCHEMBL6546396 0.72 TET2 (0.40) POLBALDH1A1HTTSMN1; SMN2FGF2
SCHEMBL6547554 0.70 POLB (0.39) POLBALDH1A1HTTSMN1; SMN2HPGD
SCHEMBL6547560 0.70 POLB (0.39) POLBALDH1A1HTTSMN1; SMN2HPGD

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 7 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
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
EP-0784629-B1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES DARWIN DISCOVERY LTD (GB) 1999-04-28 EP disclosed
EP-0784629-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996011209-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEASES CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed