SCHEMBL4454130

SCHEMBL4454130

CCCc1ccccc1OP(=O)(O)C(C=O)C=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PPARD Q03181 1/20 0.37
HTR2A P28223 1/20 0.36
SRC P12931 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL4446576 0.92 THRA (0.44) THRATHRB
SCHEMBL4454080 0.90 MAPT (0.39) HTR2ASRC
SCHEMBL1100623 0.80 INPPL1 (0.48) THRATHRBPPARDHTR2ASRC
SCHEMBL4446490 0.77 SRC (0.41) SRC
SCHEMBL4448608 0.77 THRA (0.40) THRATHRBPPARDSRCCTSL
SCHEMBL29784818 0.76 PPARD (0.41) THRATHRBPPARDHTR1AADRA2A
SCHEMBL1592156 0.76 PPARD (0.41) THRATHRBPPARDHTR1AADRA2A
SCHEMBL22579131 0.74 SRC (0.44) PPARDSRCLTB4RLTB4R2
SCHEMBL11510743 0.73 PPARD (0.40) THRATHRBPPARDHTR1AADRA2A
SCHEMBL28929287 0.73 THRA (0.40) THRATHRBPPARDHTR1AADRA2A

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