SCHEMBL4742703

SCHEMBL4742703

COC(CCOCCCO)OC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.33
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL11581666 0.85 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL30380467 0.84 MEN1 (0.52) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2132844 0.79 USP2 (0.36) TSHRMEN1KMT2ATHRBHTT
SCHEMBL9252191 0.78 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL1958926 0.78
SCHEMBL29847618 0.77 CYP3A4 (0.41)
SCHEMBL2523632 0.76 TSHR (0.42) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2042939 0.75 SMN1; SMN2 (0.36) TSHRMEN1KMT2A
SCHEMBL14067141 0.74 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL18231789 0.74 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1967554-A1 Undercoat and marking compounds Triflex Beschichtungssysteme GmbH & Co. Kommanditgesellschaft (DE) 2008-09-10 EP disclosed
WO-2008101734-A2 PRIMING AND MARKING COMPOSITIONS TRIFLEX BESCHICHTUNGSSYSTEME GMBH & CO. KG (DE) 2008-08-28 WO disclosed