SCHEMBL4451203

SCHEMBL4451203

CC(OP(OC(C)(c1ccccc1)C(c1ccccc1)c1ccccc1)OC(C)(c1ccccc1)C(c1ccccc1)c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
RIPK1 Q13546 2/20 0.36
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
SLC6A4 P31645 1/20 0.34
KIF11 P52732 2/20 0.34

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
SCHEMBL4451205 0.85 ALDH1A1 (0.38) MAPK1ALDH1A1ALOX15RIPK1CACNA1F
SCHEMBL11770112 0.78 TAAR1 (0.40) MAPK1ALDH1A1RIPK1CACNA1FCHRM2
SCHEMBL29157951 0.74 ALDH1A1 (0.38) MAPK1ALDH1A1ALOX15RIPK1SLC6A3
SCHEMBL4459726 0.71 MAPK1 (0.35) MAPK1ALDH1A1ALOX15RIPK1CACNA1F
SCHEMBL6809763 0.70 MAPK1 (0.48) MAPK1ALDH1A1ALOX15CHRM2TAAR1
SCHEMBL1059025 0.70 MAPK1 (0.42) MAPK1ALDH1A1ALOX15RIPK1CACNA1F
SCHEMBL1059023 0.70 MAPK1 (0.42) MAPK1ALDH1A1ALOX15RIPK1CACNA1F
SCHEMBL3490274 0.69 AOC3 (0.42) MAPK1ALDH1A1ALOX15RIPK1CHRM2
Phosphine SCHEMBL23160875 0.69 MAPK1 (0.41) MAPK1ALDH1A1ALOX15RIPK1CACNA1F
SCHEMBL11661542 0.67 MAPK1 (0.44) MAPK1ALDH1A1ALOX15RIPK1TAAR1

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