SCHEMBL4737133

SCHEMBL4737133

CC(C)N(CCc1ccc(B(O)O)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.55
LIPG Q9Y5X9 7/20 0.55
CA2 P00918 4/20 0.52
CA1 P00915 3/20 0.52
TRPV1 Q8NER1 2/20 0.49
MGLL Q99685 1/20 0.49
F11 P03951 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ENPP2 Q13822 3/20 0.37
CSK P41240 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 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
Hydrochloric Acid SCHEMBL3333918 0.79 LPL (0.50) LPLLIPGCA2CA1TRPV1
SCHEMBL27534382 0.79 ESR1 (0.52) CA2THRATHRBLTA4H
SCHEMBL2554733 0.79 LPL (0.61) LPLLIPGCA2CA1TRPV1
SCHEMBL890400 0.75 LPL (0.73) LPLLIPGCA2CA1TRPV1
SCHEMBL6771001 0.75 LPL (0.61) LPLLIPGCA2CA1TRPV1
SCHEMBL19542923 0.75 IDO1 (0.44) THRATHRBHRH3LTA4H
SCHEMBL11740957 0.74 TAAR1 (0.58) LTA4H
SCHEMBL5733683 0.73 THRA (0.52) CA2THRATHRBTSHR
Water SCHEMBL5919047 0.72 TAAR1 (0.56) LTA4H
SCHEMBL3291459 0.72 CA2 (0.63) LPLLIPGCA2CA1TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008059489-A2 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME SPECTRUM DYNAMICS LLC (US) 2008-05-22 WO disclosed