SCHEMBL7047871

SCHEMBL7047871

CCOC(=O)CCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.64
CYSLTR2 Q9NS75 2/20 0.58
CYSLTR1 Q9Y271 2/20 0.58
FFAR4 Q5NUL3 3/20 0.56
FFAR1 O14842 2/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
BRD4 O60885 1/20 0.52
PDK2 Q15119 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LTA4H P09960 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL7370657 0.95 HDAC1 (0.63) FAAHCYSLTR2CYSLTR1FFAR4FFAR1
SCHEMBL7048969 0.87 FAAH (0.63) FAAHCYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL767042 0.87 TDP1 (0.62) FAAHCYSLTR2CYSLTR1KDM4EPOLB
SCHEMBL8987333 0.85 HDAC1 (0.51) FAAHCYSLTR2CYSLTR1HDAC1HDAC2
SCHEMBL10054169 0.84 L3MBTL1 (0.62) FAAHCYSLTR2CYSLTR1BRD4TDP1
SCHEMBL27541476 0.84 RXRA (0.52) FAAHCYSLTR2CYSLTR1FFAR4FFAR1
SCHEMBL27736999 0.83 RXRA (0.50) FAAHRXRARXRB
SCHEMBL3173429 0.83 CYSLTR2 (0.60) FAAHCYSLTR2CYSLTR1BRD4PDK2
SCHEMBL12698684 0.83 ALDH1A1 (0.67) FAAHCYSLTR2CYSLTR1FFAR4FFAR1
SCHEMBL8955658 0.83 CYSLTR2 (0.63) FAAHCYSLTR2CYSLTR1BRD4PDK2

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-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed