SCHEMBL2011956

SCHEMBL2011956

CC(CC(C)(C)C)C(O[O])C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GABRR1 P24046 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
PGD P52209 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
SCHEMBL7533963 0.83 MMP1 (0.34) MMP1MMP2MMP3MMP9MMP13
SCHEMBL113565 0.79 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL818553 0.74
SCHEMBL9679728 0.73 ATM (0.42)
SCHEMBL11073302 0.73 TP53 (0.35) GABRR1
SCHEMBL5891398 0.73 TP53 (0.35) GABRR1
SCHEMBL22284869 0.72
SCHEMBL1679562 0.72 HCAR2 (0.33)
SCHEMBL27149829 0.72
SCHEMBL4989912 0.71 SLC1A3 (0.36) GABRR1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951894-B1 Storage stable polymerizable compositions DENTSPLY DETREY GMBH (DE) 2010-07-14 EP claimed
EP-0732098-B1 Polymerizable composition DENTSPLY DETREY GMBH (DE) 2002-06-05 EP claimed
EP-2470153-A1 DENTAL COMPOSITION Dentsply DeTrey GmbH (DE) 2012-07-04 EP disclosed
WO-2011072812-A1 DENTAL COMPOSITION DENTSPLY DE TREY GMBH (DE) 2011-06-23 WO disclosed