SCHEMBL7515225

SCHEMBL7515225

O=C(O)CCCCCCCCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.77
HDAC4 P56524 12/20 0.77
HDAC1 Q13547 12/20 0.77
HDAC7 Q8WUI4 12/20 0.77
HDAC2 Q92769 12/20 0.77
HDAC10 Q969S8 12/20 0.77
HDAC11 Q96DB2 12/20 0.77
HDAC8 Q9BY41 12/20 0.77
HDAC6 Q9UBN7 12/20 0.77
HDAC9 Q9UKV0 12/20 0.77
HDAC5 Q9UQL6 12/20 0.77
PPARA Q07869 3/20 0.69
FFAR4 Q5NUL3 2/20 0.67
FFAR1 O14842 2/20 0.67
LTA4H P09960 1/20 0.59
MMP3 P08254 1/20 0.59

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
SCHEMBL3381443 1.00 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1007408 1.00 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7049246 0.93 FFAR4 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11616532 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL503552 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25228768 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1008297 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL712775 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6342300 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11790866 0.89 PPARA (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2

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-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
EP-0861230-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL, INC. (US) 1998-09-02 EP disclosed
WO-1997014674-A1 LIQUID CRYSTALLINE (METH)ACRYLATE COMPOUNDS, COMPOSITION AND METHOD DENTSPLY INTERNATIONAL INC. (US) 1997-04-24 WO disclosed