SCHEMBL6355347

SCHEMBL6355347

CCCCCCCCCCCCCC(O)(SCc1cc(C(C)(C)C)cc(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.41
RXRB P28702 4/20 0.41
RXRG P48443 4/20 0.41
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
STS P08842 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
SLC13A5 Q86YT5 1/20 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
SCHEMBL29171804 0.85 GAA (0.40) NR5A2NR5A1
SCHEMBL5609738 0.84 CNR2 (0.37) PPARGPPARAS1PR2S1PR4S1PR1
SCHEMBL2695933 0.82 ESR1 (0.44) PPARAS1PR2S1PR4S1PR1S1PR3
SCHEMBL3347786 0.81 GAA (0.43) PPARGPPARA
SCHEMBL28133552 0.77 RXRA (0.40) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL11550381 0.72 GMNN (0.48)
SCHEMBL11663428 0.71 RXRA (0.40) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL28377655 0.71 RXRA (0.47) RXRARXRBRXRGPPARGPPARA
SCHEMBL11175136 0.70 GAA (0.40) NR5A2NR5A1
SCHEMBL3184779 0.70 SLC13A5 (0.43) RXRARXRBRXRGHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197433-A1 Molecular weight modification of thermoplastic polymers CIBA SPECIALTY CHEMICALS CORP. 2005-09-08 US disclosed