SCHEMBL4459817

SCHEMBL4459817

CCOP(=O)(OCC)C(O)CCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
POLB P06746 1/20 0.41
PTPN1 P18031 1/20 0.39
GAA P10253 2/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 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
SCHEMBL4453625 0.88 PPARD (0.45) PPARDPOLBGAATSHRL3MBTL1
SCHEMBL4462232 0.85 PTPN1 (0.41) PPARDPTPN1GAAL3MBTL1CYP3A4
SCHEMBL9492034 0.84 FDPS (0.45) POLBL3MBTL1CYP3A4
SCHEMBL4068245 0.82 SMPD1 (0.47)
SCHEMBL27288704 0.82 LPAR3 (0.45) PTPN1TSHR
SCHEMBL1852629 0.82 PPARD (0.43) PPARDPOLBPTPN1TSHRCYP3A4
SCHEMBL2821620 0.81 POLB (0.44) PPARDPOLBGAATSHRL3MBTL1
SCHEMBL1863534 0.81 POLB (0.39) PPARDPOLBGAATSHRL3MBTL1
SCHEMBL4453650 0.79 LMNA (0.39) PPARDPTPN1CYP2C19
SCHEMBL14010345 0.78 PPARD (0.41) PPARDPOLBPTPN1GAATSHR

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