SCHEMBL29944765

SCHEMBL29944765

C=C(C)C(=O)OCCCOCCCOCCCOCCCOCCCOCCCO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
THRB P10828 1/20 0.53
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 6/20 0.32

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
SCHEMBL11127572 1.00 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2740452 1.00 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13105980 1.00 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12200484 1.00 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL13555731 0.94 THRB (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31250026 0.94 THRB (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27688824 0.93 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5909577 0.92 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6115523 0.92 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL4933888 0.92 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT

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
EP-2516493-B2 USE OF NETWORK COMPOSITIONS IN COSMETICS OR PERSONAL CARE PRODUCTS MOMENTIVE PERFORMANCE MAT INC (US) 2022-11-16 EP claimed