SCHEMBL4451720

SCHEMBL4451720

CCCOP(=O)(CCCC=O)OCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 2/20 0.35
HIF1A Q16665 1/20 0.35
LPAR3 Q9UBY5 2/20 0.34
AOX1 Q06278 1/20 0.34
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
PPARD Q03181 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2382263 0.83 PPARD (0.50) TSHRFAAHTRPV1HIF1AAOX1
SCHEMBL779020 0.81 CYP3A4 (0.48) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL4460807 0.80 CYP3A4 (0.50) TSHRFAAHTRPV1CYP3A4LPAR3
SCHEMBL9000158 0.78 PPARD (0.48) TSHRFAAHTRPV1HIF1AAOX1
SCHEMBL2183356 0.77 LPAR3 (0.48) FAAHCYP3A4LPAR3LPAR1LPAR2
SCHEMBL5823678 0.77 LPAR3 (0.48) FAAHCYP3A4LPAR3LPAR1LPAR2
SCHEMBL28228011 0.77 CYP3A4 (0.56) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL5033156 0.77 LPAR3 (0.48) FAAHCYP3A4LPAR3LPAR1LPAR2
SCHEMBL29085263 0.77 LPAR3 (0.48) FAAHCYP3A4LPAR3LPAR1LPAR2
SCHEMBL17764807 0.76 PPARD (0.47) TSHRFAAHTRPV1AOX1PPARD

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