SCHEMBL4451175

SCHEMBL4451175

CCCCc1ccccc1P(OC1CCC1)OC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.34
BCHE P06276 3/20 0.33
TLR8 Q9NR97 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
NR5A2 O00482 2/20 0.31
NR5A1 Q13285 1/20 0.31
ACHE P22303 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL4448716 0.94 LIPG (0.36) LIPGBCHETLR8CYP3A4CYP2D6
SCHEMBL4451703 0.91 ADRA2A (0.32)
SCHEMBL4456095 0.84 ADRA2A (0.33)
SCHEMBL4446421 0.84 TSHR (0.35)
SCHEMBL4448593 0.78 MAPT (0.36)
SCHEMBL4453663 0.76 LIPG (0.41) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4455991 0.74 LIPG (0.40) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4460496 0.73 LIPG (0.39) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4456016 0.73 LIPG (0.39) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL15655441 0.73 BCHE (0.40) LIPGBCHETLR8CYP3A4CYP2D6

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