SCHEMBL8536455

SCHEMBL8536455

C=C(CC)C(=O)OCCCCCCCCCCCCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ACHE P22303 8/20 0.46
NAAA Q02083 1/20 0.42
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8537810 0.98 TSHR (0.48) TSHRACHENAAACYP4F2CYP4A11
SCHEMBL5709205 0.92 TSHR (0.46) TSHRACHENAAACYP4F2CYP4A11
SCHEMBL9646938 0.90 TSHR (0.55) TSHRACHENAAARAD52NPSR1
Ethylene Glycol SCHEMBL5469504 0.89 TSHR (0.62) TSHRACHENAAARAD52NPSR1
SCHEMBL374874 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1
SCHEMBL11803516 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1
SCHEMBL375676 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1
SCHEMBL3627611 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1
SCHEMBL3503962 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1
SCHEMBL3503795 0.86 TSHR (0.69) TSHRACHENAAARAD52NPSR1

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-0557131-B1 Process for making a polymer-supported catalyst ROHM & HAAS (US) 1998-03-25 EP disclosed
EP-0557131-A2 Polymer-supported catalysts ROHM AND HAAS COMPANY (US) 1993-08-25 EP disclosed