SCHEMBL5574552

SCHEMBL5574552

COc1cccc(OC)c1C(=O)P(=O)(CCCC(C)(C)C)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TAAR1 Q96RJ0 1/20 0.39
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL446179 0.84 PPARA (0.50) CA12CA1CA2CA7CA9
SCHEMBL1033883 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL447297 0.81 PPARA (0.55) CA12CA1CA2CA7CA9
SCHEMBL5996709 0.81 TAS1R3 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1033273 0.80 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1036036 0.79 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28377819 0.79 TAAR1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL5994659 0.78 PPARA (0.51) CA12CA1CA2CA7CA9
SCHEMBL5350643 0.78 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL5996983 0.78 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9

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-8753739-B2 UV-curing protective layer for thermoplastic substrates BAYER MATERIALSCIENCE AG (DE) 2014-06-17 US claimed
US-20070237967-A1 UV-curing protective layer for thermo-plastic substrates COVESTRO DEUTSCHLAND AG (DE) 2007-10-11 US claimed