SCHEMBL4593059

SCHEMBL4593059

CCCCCOCCC=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CES2 O00748 1/20 0.43
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL26616615 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL29956930 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL1236602 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL9747592 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL14201441 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL1236838 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL10586641 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL3946404 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL21153537 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB
SCHEMBL28043548 0.98 TSHR (0.58) TSHRFAAHTRPV1MEN1THRB

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1876196-A1 VOC free or low VOC polyurethane coating Sika Technology AG (CH) 2008-01-09 EP disclosed