SCHEMBL29080682

SCHEMBL29080682

CC1CCC(CC(=O)OC(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MIF P14174 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 3/20 0.33
EPHX1 P07099 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PREP P48147 1/20 0.32
CYP19A1 P11511 2/20 0.31

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
SCHEMBL29210828 0.85 SHBG (0.36) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL19259372 0.84 L3MBTL1 (0.45) LMNAMIFL3MBTL1TDP1ALDH1A1
SCHEMBL30304705 0.83 LMNA (0.35) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL7569020 0.82 L3MBTL1 (0.47) LMNAL3MBTL1TDP1EPHX1HPGD
Hydrochloric Acid SCHEMBL29210818 0.81 LMNA (0.34) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL29210816 0.78 CYP2D6 (0.38) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL21807760 0.78 CYP3A4 (0.36) LMNAMIFL3MBTL1TDP1TSHR
SCHEMBL13202377 0.78 BRD4 (0.44) L3MBTL1TSHRALDH1A1EPHX1KMT2A
SCHEMBL9977785 0.78 BRD4 (0.44) L3MBTL1TSHRALDH1A1EPHX1KMT2A
SCHEMBL23223892 0.77 NR1H2 (0.40) MIFL3MBTL1ALDH1A1EPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551986-A Fragrance composition 奇华顿股份有限公司 2022-12-30 CN claimed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN claimed
CN-109689848-B Fragrance composition 奇华顿股份有限公司 2022-12-23 CN disclosed