SCHEMBL6159696

SCHEMBL6159696

CCCCCC(CC(=O)OC(C)(C)C)C(=O)NCC(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 8/20 0.43
MMP1 P03956 3/20 0.43
MMP9 P14780 2/20 0.43
MMP3 P08254 2/20 0.43
MMP14 P50281 1/20 0.43
BIRC2 Q13490 2/20 0.42
CTSK P43235 2/20 0.41
NAAA Q02083 2/20 0.39
PRSS1 P07477 1/20 0.39
CTSG P08311 1/20 0.39
CTRB1 P17538 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL8053753 0.76 MMP2 (0.59) MMP2MMP1MMP9MMP3MMP14
SCHEMBL8060173 0.76 MMP2 (0.59) MMP2MMP1MMP9MMP3MMP14
SCHEMBL6294116 0.76 MMP2 (0.62) MMP2MMP1MMP3BIRC2
SCHEMBL1915216 0.75 SMN1; SMN2 (0.47) L3MBTL1CTSK
SCHEMBL1915123 0.75 SMN1; SMN2 (0.47) L3MBTL1CTSK
SCHEMBL1915127 0.75 SMN1; SMN2 (0.47) L3MBTL1CTSK
SCHEMBL118384 0.74 CTSK (0.51) CTSK
SCHEMBL266022 0.74 CTSK (0.51) CTSK
SCHEMBL266021 0.74 CTSK (0.51) CTSK
SCHEMBL6161042 0.74 GRIK1 (0.49) BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372692-A4 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INST CANCER (US) 2005-10-26 EP claimed
EP-1372692-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR Sloan Kettering Institute For Cancer Research (US) 2004-01-02 EP claimed
WO-2002074050-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-09-26 WO claimed
EP-1372692-A4 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INST CANCER (US) 2005-10-26 EP disclosed
EP-1372692-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR Sloan Kettering Institute For Cancer Research (US) 2004-01-02 EP disclosed
WO-2002074050-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-09-26 WO disclosed