SCHEMBL7478743

SCHEMBL7478743

CCC[C@@H](O)[C@@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.39
MMP3 P08254 6/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
MMP1 P03956 1/20 0.37
REN P00797 4/20 0.37
MGLL Q99685 1/20 0.37
FKBP1A P62942 1/20 0.36

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
SCHEMBL4290067 0.89 MMP2 (0.41) MMP2MMP3MMP1MGLLFKBP1A
SCHEMBL7840445 0.83 MMP1 (0.46) MMP2MMP3MMP1
SCHEMBL7423731 0.82 MGLL (0.39) MMP2MMP3MGLLFKBP1A
SCHEMBL6983815 0.79 MMP1 (0.41) MMP2MMP3CCNA2CDK2CCNA1
SCHEMBL7411014 0.78 CCNA2 (0.35) MMP2MMP3CCNA2CDK2CCNA1
SCHEMBL4287736 0.78 EPHX2 (0.40) MMP2MMP3MGLLFKBP1A
SCHEMBL7383416 0.77 REN (0.39) MMP2MMP3CCNA2CDK2CCNA1
SCHEMBL6942326 0.77 MMP1 (0.39) MMP2MMP3MMP1REN
SCHEMBL7840440 0.77 LMNA (0.40) MMP2MMP3MMP1MGLL
SCHEMBL6986871 0.76 MMP1 (0.37) MMP2MMP3MMP1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed