SCHEMBL4451725

SCHEMBL4451725

CCCOP(=O)(CCCCO)OCCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR1 Q92633 2/20 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
SCHEMBL15250938 0.86 PPARD (0.47) PPARDSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL28292031 0.86 PPARD (0.47) PPARDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4451195 0.85 PPARD (0.67) PPARDMEN1KMT2ATSHRCYP3A4
SCHEMBL4460809 0.83 CYP3A4 (0.52) PPARDSMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL2183356 0.83 LPAR3 (0.48) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL5033156 0.83 LPAR3 (0.48) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL5823678 0.83 LPAR3 (0.48) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL4456025 0.83 PPARD (0.71) PPARDTSHR
SCHEMBL29085263 0.83 LPAR3 (0.48) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL779020 0.82 CYP3A4 (0.48) PPARDSMN1; SMN2MEN1KMT2ATSHR

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