SCHEMBL11045166

SCHEMBL11045166

O=[Ti](O)OCCCCCCOCCCCCCOCCCCCCOCCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.32
ACHE P22303 6/20 0.31
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL195284 1.00 GAA (0.44) GAAMEN1KMT2ATHRBHTT
SCHEMBL5903190 0.98 GAA (0.41) GAAMEN1KMT2ATHRBHTT
SCHEMBL97897 0.93 GAA (0.35) GAAMEN1KMT2ATSHRACHE
SCHEMBL360073 0.93 GAA (0.35) GAAMEN1KMT2ATSHRACHE
SCHEMBL10949103 0.91
SCHEMBL9011790 0.78 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL8936938 0.78 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL21357398 0.78 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL6047745 0.78 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT
SCHEMBL19860394 0.78 MEN1 (0.55) GAAMEN1KMT2ATHRBHTT

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
US-4482700-A Method for the preparation of light-colored polyesters with the use of titanium catalysts DYNAMIT NOBEL AG (DE) 1984-11-13 US disclosed