SCHEMBL2200312

SCHEMBL2200312

Cc1c(C2CCCCC2)cc(CCC(=O)O)cc1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
PTGDR2 Q9Y5Y4 10/20 0.45
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR Q13258 4/20 0.39
PTGER2 P43116 1/20 0.39
KEAP1 Q14145 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL38822 0.86 THRB (0.50) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL7792116 0.85 THRA (0.45) THRATHRBPTGDR2FFAR1FFAR4
Ammonia Solution, Strong SCHEMBL4052129 0.84 THRB (0.49) THRATHRBPTGDR2FFAR1FFAR4
Alcohol SCHEMBL28852088 0.84 THRB (0.46) THRATHRBPTGDR2FFAR1FFAR4
Ethylene SCHEMBL4047965 0.83 THRB (0.48) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL7795938 0.82 THRA (0.51) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL28789805 0.82 THRA (0.47) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL7792495 0.81 THRB (0.44) THRATHRBPTGDR2FFAR1FFAR4
Octane SCHEMBL27811633 0.80 THRA (0.46) THRATHRBPTGDR2FFAR1FFAR4
SCHEMBL7796368 0.79 KMT2A (0.47) THRATHRBPTGDR2FFAR1FFAR4

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-20110254204-A1 METHOD OF MODIFYING GLOSS WITH MODIFIED POLYMERS AND RELATED PRODUCTS AND USES BASF SE (DE) 2011-10-20 US disclosed
EP-2344586-A1 METHOD OF MODIFYING GLOSS WITH MODIFIED POLYMERS AND RELATED PRODUCTS AND USES BASF SE (DE) 2011-07-20 EP disclosed
WO-2010049319-A1 METHOD OF MODIFYING GLOSS WITH MODIFIED POLYMERS AND RELATED PRODUCTS AND USES BASF SE (DE) 2010-05-06 WO disclosed