SCHEMBL4452055

SCHEMBL4452055

CCCCc1ccccc1P(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
LIPG Q9Y5X9 1/20 0.38
TLR8 Q9NR97 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
PPARA Q07869 1/20 0.33
MLNR O43193 1/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 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
SCHEMBL4460772 0.90 PPARA (0.35) LTA4HPPARAADRA2AADRA2BADRA2C
SCHEMBL1726433 0.82 GABRA1 (0.34) LTA4HSLC6A2SLC6A4
SCHEMBL4453663 0.81 LIPG (0.41) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4455991 0.79 LIPG (0.40) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL4460496 0.78 LIPG (0.39) LTA4HLIPGTLR8CYP3A4CYP2D6
SCHEMBL4456016 0.78 LIPG (0.39) LTA4HLIPGTLR8CYP3A4CYP2D6
SCHEMBL1726098 0.78 THRA (0.52) LIPGTLR8ALOX5PTGS2PPARA
SCHEMBL1021215 0.77 THRA (0.44) LTA4HLIPGALOX5PTGS2PPARA
SCHEMBL29409674 0.76 LIPG (0.46) LIPGTLR8CYP3A4CYP2D6CYP2C9
SCHEMBL6288562 0.76 LIPG (0.46) 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