SCHEMBL4448716

SCHEMBL4448716

CCCCc1ccccc1P(OC1CC1)OC1CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.36
TLR8 Q9NR97 2/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PTGS2 P35354 2/20 0.33
ALOX5 P09917 1/20 0.33
BCHE P06276 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4451175 0.94 LIPG (0.34) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4456095 0.90 ADRA2A (0.33) CYP4F2CYP4A11
SCHEMBL4451703 0.84 ADRA2A (0.32)
SCHEMBL4448593 0.83 MAPT (0.36) CYP4F2CYP4A11
SCHEMBL4455991 0.80 LIPG (0.40) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4453663 0.78 LIPG (0.41) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4446421 0.78 TSHR (0.35)
SCHEMBL4460496 0.76 LIPG (0.39) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4456016 0.76 LIPG (0.39) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4452055 0.74 LTA4H (0.40) LIPGTLR8CYP3A4CYP2D6CYP2C9

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