SCHEMBL22273572

SCHEMBL22273572

C=C(C)C1CCC(C)(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ALOX15 P16050 1/20 0.33
CYP1B1 Q16678 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL19592405 0.80 ALOX15 (0.35) ALDH1A1CA1CA2CA4CA7
SCHEMBL14278527 0.78 ESR2 (0.36) ALDH1A1CA1CA2CA4CA7
SCHEMBL1245775 0.78 ESR2 (0.36) ALDH1A1CA1CA2CA4CA7
SCHEMBL22882350 0.78 ESR2 (0.36) ALDH1A1CA1CA2CA4CA7
SCHEMBL24421017 0.76 ALOX15 (0.33) ALDH1A1CA1CA2CA4CA7
SCHEMBL29788640 0.76 ALOX15 (0.33) ALDH1A1CA1CA2CA4CA7
SCHEMBL20054783 0.76 ALDH1A1 (0.37) ALDH1A1CA1CA2CA4CA7
SCHEMBL25982586 0.76 ALOX15 (0.34) ALDH1A1CA1CA2CA4CA7
SCHEMBL14761762 0.73 L3MBTL1 (0.38) ALDH1A1ALOX15CYP1B1LMNAL3MBTL1
Trimethylammonium SCHEMBL28572288 0.73 CA1 (0.35) ALDH1A1CA1CA2CA4CA7

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
WO-2023090891-A1 WALLPAPER COMPOSITION AND WALLPAPER EMITTING AROMATIC COMPONENT BY HEAT 주식회사 케이티앤지 2023-05-25 WO disclosed
WO-2023090886-A1 NOVEL FLAVORING AGENT, FLAVORING AGENT COMPOSITION, AND PRODUCT COMPRISING SAME 주식회사 케이티앤지 2023-05-25 WO disclosed
WO-2020068796-A9 POLYCARBONATE BLOCK COPOLYMERS AND METHODS THEREOF SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2020-07-30 WO disclosed