SCHEMBL4455052

SCHEMBL4455052

CCCc1ccccc1OP(=O)(O)c1cccc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PPARD Q03181 1/20 0.35
HIF1A Q16665 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
PTK2B Q14289 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 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
SCHEMBL4454793 0.92 THRA (0.39) MAPTALDH1A1LTB4RLTB4R2HIF1A
SCHEMBL4452100 0.91 MAPT (0.43) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL4453644 0.90 MAPT (0.47) MAPTALDH1A1LTB4RLTB4R2LMNA
SCHEMBL4455050 0.86 MAPT (0.42) MAPTLTB4RLTB4R2LMNAGAA
SCHEMBL4460503 0.84 LTB4R (0.42) ALDH1A1LTB4RLTB4R2PPARDHIF1A
SCHEMBL4451201 0.83 LTB4R (0.37) MAPTALDH1A1LTB4RLTB4R2PPARD
SCHEMBL4454710 0.83 LTB4R (0.40) MAPTALDH1A1LTB4RLTB4R2PPARD
SCHEMBL4454505 0.83 MAPT (0.49) MAPTALDH1A1LMNAGAAMAPK1
SCHEMBL4449871 0.83 LTB4R (0.39) ALDH1A1LTB4RLTB4R2PPARDHIF1A
SCHEMBL4451713 0.82 MAPT (0.50) MAPTALDH1A1LMNAGAAMAPK1

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