SCHEMBL7730836

SCHEMBL7730836

C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C=C(C)C(=O)O)C(=O)OCCCC

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HCAR2 Q8TDS4 3/20 0.41
THRB P10828 1/20 0.41
NAAA Q02083 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.37
FAAH O00519 2/20 0.37
ATM Q13315 1/20 0.37
CES2 O00748 1/20 0.35
LMNA P02545 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
Methacrylic Acid SCHEMBL14661240 0.94 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6274865 0.94 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14660709 0.94 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17063567 0.94 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28078386 0.94 TSHR (0.60) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7974868 0.92 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9436100 0.92 TSHR (0.54) TSHRPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL725335 0.91 TSHR (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL168598 0.91 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL9683138 0.90 TSHR (0.53) 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-6414077-B1 BEDDING COMPOUNDS SCHNEE-MOREHEAD, INC. 2002-07-02 US disclosed