SCHEMBL29117751

SCHEMBL29117751

C=C(CC(C)(C)C)C(=O)OCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
NAAA Q02083 1/20 0.47
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
EPHX1 P07099 1/20 0.44
HCAR2 Q8TDS4 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 6/20 0.40
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL15156752 0.85 TSHR (0.59) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL10011159 0.82 TSHR (0.55) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL10011166 0.82 TSHR (0.55) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375249 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503962 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL375676 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL26413 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3503795 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL3627611 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1
SCHEMBL374874 0.82 TSHR (0.69) TSHRNAAARAD52NPSR1EPHX1

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
CN-116981758-A Thermally responsive brush polymers having a copolymer backbone and copolymer arms 英菲诺姆国际有限公司 2023-10-31 CN disclosed