SCHEMBL11289109

SCHEMBL11289109

CCN(C)CC(O)CCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
PNP P00491 1/20 0.36
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL18159896 0.83 LMNA (0.30) L3MBTL1
SCHEMBL15509645 0.82 KDM4E (0.35) KDM4EL3MBTL1
SCHEMBL9003514 0.81 KDM4E (0.50) THRBPNPKDM4EL3MBTL1
SCHEMBL4239566 0.80
SCHEMBL8474657 0.79 CA12 (0.32) KDM4EL3MBTL1
SCHEMBL19044278 0.79
SCHEMBL11396006 0.78 THRB (0.43) THRBL3MBTL1
SCHEMBL11847918 0.78 L3MBTL1 (0.44) THRBL3MBTL1
SCHEMBL4712809 0.77
SCHEMBL2586284 0.77

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-0044174-A1 Polyurea polyurethan polymer polyol and its use in producing polyurethanes TEXACO DEVELOPMENT CORPORATION (US) 1982-01-20 EP disclosed