SCHEMBL6803015

SCHEMBL6803015

CC(C)C[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.57
MMP2 P08253 6/20 0.57
MMP7 P09237 3/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
MMP8 P22894 7/20 0.55
MMP1 P03956 5/20 0.55
FCER2 P06734 3/20 0.55
MMP3 P08254 2/20 0.55
BIRC2 Q13490 1/20 0.52
REN P00797 2/20 0.48
APP P05067 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48

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
SCHEMBL5099126 0.87 MMP1 (0.69) MMP9MMP2MMP7MMP12MMP13
SCHEMBL6804766 0.87 MMP9 (0.64) MMP9MMP2MMP7MMP12MMP13
SCHEMBL4421988 0.85 MMP2 (0.79) MMP9MMP2MMP7MMP12MMP13
SCHEMBL16460505 0.80 CTSS (0.62) RENAPP
SCHEMBL29830619 0.80 CTSS (0.62) RENAPP
SCHEMBL16460506 0.80 CTSS (0.62) RENAPP
SCHEMBL27573505 0.79 MMP1 (0.70) MMP9MMP2MMP7MMP12MMP13
SCHEMBL4634107 0.79 MMP1 (0.70) MMP9MMP2MMP7MMP12MMP13
SCHEMBL4634106 0.79 MMP1 (0.70) MMP9MMP2MMP7MMP12MMP13
SCHEMBL4420997 0.78 MMP9 (0.64) MMP9MMP2MMP7MMP12MMP13

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237881-A1 HERBICIDAL HALOGENALKYL-SUBSTITUTED 3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOYL-CYCLOHEXENONES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP claimed
WO-2001040199-A1 HERBICIDAL HALOGENALKYL-SUBSTITUTED 3-(4,5-DIHYDROISOXAZOL-3-YL)-BENZOYL-CYCLOHEXENONES BASF AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed