SCHEMBL4456016

SCHEMBL4456016

CCCCOP(OCCCC)c1ccccc1CCCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
TLR8 Q9NR97 2/20 0.37
LTA4H P09960 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4460496 0.93 LIPG (0.39) LIPGTLR8LTA4HCYP2C9CYP3A4
SCHEMBL4450146 0.93 LTA4H (0.37) LIPGLTA4HCYP2C9CYP3A4CYP1A2
SCHEMBL4461175 0.88 L3MBTL1 (0.40) LTA4HCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL4455991 0.88 LIPG (0.40) LIPGTLR8CYP2C9CYP3A4CYP2D6
SCHEMBL4454143 0.82 ADRA2B (0.33) LIPGL3MBTL1ALDH1A1
SCHEMBL4453663 0.82 LIPG (0.41) LIPGTLR8CYP2C9CYP3A4CYP2D6
SCHEMBL4459685 0.79 LTA4H (0.39) LTA4HCYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL4452055 0.78 LTA4H (0.40) LIPGTLR8LTA4HCYP2C9CYP3A4
SCHEMBL6288562 0.77 LIPG (0.46) LIPGTLR8CYP2C9CYP3A4CYP2D6
SCHEMBL29409674 0.77 LIPG (0.46) LIPGTLR8CYP2C9CYP3A4CYP2D6

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