SCHEMBL4453620

SCHEMBL4453620

CCCCc1ccccc1OP(=O)(O)C(=O)C=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL4448608 0.92 THRA (0.40) THRATHRBLTB4RLTB4R2
SCHEMBL4451647 0.87 L3MBTL1 (0.41)
SCHEMBL1100481 0.81 THRA (0.48) THRATHRBPPARAALOX5PTGS2
SCHEMBL31012114 0.81 THRA (0.48) THRATHRBPPARAALOX5PTGS2
SCHEMBL11754621 0.80 THRA (0.47) THRATHRBPPARAPPARGALOX5
SCHEMBL4446576 0.78 THRA (0.44) THRATHRBPPARAALOX5PTGS2
SCHEMBL29761930 0.78 THRA (0.47) THRATHRBPPARAALOX5PTGS2
SCHEMBL1592695 0.78 THRA (0.47) THRATHRBPPARAALOX5PTGS2
SCHEMBL31012116 0.77 THRA (0.54) THRATHRBPPARAPPARGALOX5
SCHEMBL308667 0.77 THRA (0.54) THRATHRBPPARAPPARGALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed