SCHEMBL11829645

SCHEMBL11829645

C=C(C)C(=O)OCCCCCCCC(C)C.C=C(C)C(=O)OCCO

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.33
RARB P10826 1/20 0.33
CYP3A4 P08684 1/20 0.32
PTPN1 P18031 1/20 0.31
ACHE P22303 6/20 0.31

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
SCHEMBL28319879 1.00 TSHR (0.57) TSHRPOLBAPEX1HTTTDP1
SCHEMBL31589278 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19991477 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL31589357 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9947749 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL36424 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2458485 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL30338 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL20503431 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL216465 0.93 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1

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-4000218-A PROCESS FOR PREPARING PARTICULATE POLYURETHANE POLYMERS AND THE POLYMERS DERIVED THEREFROM UNION CARBIDE CORPORATION (US) 1976-12-28 US disclosed