SCHEMBL4450146

SCHEMBL4450146

CCCCOP(OCCCC)c1ccccc1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
PPARD Q03181 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LIPG Q9Y5X9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
TAOK1 Q7L7X3 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
SCHEMBL4456016 0.93 LIPG (0.39) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4454143 0.89 ADRA2B (0.33) PPARDL3MBTL1LIPGALDH1A1MEN1
SCHEMBL4461175 0.88 L3MBTL1 (0.40) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4460496 0.86 LIPG (0.39) LTA4HCYP2C9LIPGCYP3A4
SCHEMBL4455343 0.84 CYP4F2 (0.34) PPARDL3MBTL1LIPGMEN1KMT2A
SCHEMBL4459685 0.82 LTA4H (0.39) LTA4HCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL4455991 0.81 LIPG (0.40) CYP2C9LIPGCYP3A4
SCHEMBL4451093 0.78 ADRA2A (0.34) PPARDLIPGMEN1KMT2A
SCHEMBL4452162 0.77 L3MBTL1 (0.38) TSHRL3MBTL1TDP1ALDH1A1MEN1
SCHEMBL4453663 0.75 LIPG (0.41) CYP2C9LIPGCYP3A4

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