SCHEMBL4454064

SCHEMBL4454064

CCc1cccc(OP(=O)(O)c2ccccc2C)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 2/20 0.35
RAB9A P51151 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ALPG P10696 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4458102 0.90 ALDH1A1 (0.40) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL4448730 0.89 ALDH1A1 (0.38) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL3888421 0.88 ALDH1A1 (0.41) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL4454061 0.86 MAPT (0.37) ALDH1A1MAPTKDM4ELMNAHTT
SCHEMBL4454710 0.85 LTB4R (0.40) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL4451171 0.85 ALDH1A1 (0.37) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL4454808 0.84 PPARA (0.40) ALDH1A1NPC1POLBPTK2BHIF1A
SCHEMBL4460850 0.84 ALDH1A1 (0.40) ALDH1A1MAPTNPC1POLBPTK2B
SCHEMBL4451594 0.83 ALOX5 (0.39) ALDH1A1NPC1POLBPTK2BHIF1A
SCHEMBL4452100 0.82 MAPT (0.43) ALDH1A1MAPTNPC1POLBPTK2B

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