SCHEMBL6891208

SCHEMBL6891208

CCC/C(CC)=C(\O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 4/20 0.43
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
ALDH1A1 P00352 3/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CTSD P07339 1/20 0.37
TSHR P16473 4/20 0.36
AKR1B1 P15121 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK5 Q16478 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR1 P21554 1/20 0.32
PPARG P37231 5/20 0.32
PPARD Q03181 5/20 0.32
PPARA Q07869 5/20 0.32

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
SCHEMBL1727611 0.84 FFAR3 (0.44) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9651120 0.82 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL15229727 0.82 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28953060 0.82 FFAR3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28400166 0.78 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9000247 0.77 HDAC3 (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL28279159 0.75 ALDH1A1 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1931282 0.75 ALDH1A1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL27555453 0.73 ALDH1A1 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL20755581 0.73 CTSD (0.46) FFAR3HDAC3HDAC1HDAC2HDAC8

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
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
EP-0906015-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1999-04-07 EP disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed