SCHEMBL4453625

SCHEMBL4453625

CCOP(=O)(OCC)C(O)CCO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.45
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HMGCR P04035 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4459817 0.88 PPARD (0.42) PPARDPOLBTSHRGAAL3MBTL1
SCHEMBL2821620 0.84 POLB (0.44) PPARDPOLBTSHRGAAL3MBTL1
SCHEMBL4459740 0.80 CYP3A4 (0.47) TSHRGAAL3MBTL1CYP3A4
SCHEMBL9063345 0.80 PPARD (0.46) PPARDPOLBTSHRGAAL3MBTL1
SCHEMBL20558035 0.79 POLB (0.47) PPARDPOLBTSHRGAAL3MBTL1
SCHEMBL9492034 0.79 FDPS (0.45) POLBL3MBTL1CYP3A4
SCHEMBL4068245 0.78 SMPD1 (0.47)
SCHEMBL4452186 0.77 LMNA (0.41) PPARDCYP2C19
SCHEMBL7111165 0.77 PPARD (0.43) PPARDPOLBTSHRGAAL3MBTL1
SCHEMBL1863534 0.76 POLB (0.39) PPARDPOLBTSHRGAAL3MBTL1

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