SCHEMBL7520274

SCHEMBL7520274

N#Cc1ccc(-c2ccc(OCCCCCCCCCCCC(=O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.80
HDAC1 Q13547 8/20 0.72
HDAC2 Q92769 8/20 0.72
MMP3 P08254 5/20 0.70
MMP1 P03956 1/20 0.61
MMP9 P14780 1/20 0.61
MMP13 P45452 1/20 0.61
HDAC3 O15379 7/20 0.56
HDAC4 P56524 7/20 0.56
HDAC7 Q8WUI4 7/20 0.56
HDAC10 Q969S8 7/20 0.56
HDAC11 Q96DB2 7/20 0.56
HDAC8 Q9BY41 7/20 0.56
HDAC6 Q9UBN7 7/20 0.56
HDAC9 Q9UKV0 7/20 0.56
HDAC5 Q9UQL6 7/20 0.56
PPARA Q07869 2/20 0.54
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ALB P02768 1/20 0.51

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
SCHEMBL9128810 1.00 MMP2 (0.80) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL13862226 1.00 MMP2 (0.80) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL8657014 1.00 MMP2 (0.80) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL5097470 1.00 MMP2 (0.80) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL6252232 1.00 MMP2 (0.80) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL4273348 0.98 MMP2 (0.82) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL3952240 0.95 MMP2 (0.71) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL5516422 0.95 MMP2 (0.71) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL1139009 0.95 MMP2 (0.71) MMP2HDAC1HDAC2MMP3MMP1
SCHEMBL1285747 0.94 MMP2 (0.85) MMP2HDAC1HDAC2MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339114-B1 APPLYING LIQUID CRYSTALLINE COMPOUND TO A TOOTH IN A PATIENT'S MOUTH, AND POLYMERIZING TO FORM POLYMERIC DENTAL PRODUCT DENTSPLY DETREY GMBH (DE) 2002-01-15 US disclosed
EP-0861230-B1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INT INC (US) 2002-01-02 EP disclosed
US-5998499-A DENTAL ADHESIVE; SHRINKAGE INHIBITION DENTSPLY G.M.B.H. (DE) 1999-12-07 US disclosed