SCHEMBL30786606

SCHEMBL30786606

CC1(C)OB(c2cccc(-c3ccc(N)cc3)c2)OC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 10/20 0.57
LPL P06858 9/20 0.57
TAAR1 Q96RJ0 2/20 0.43
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
MAOA P21397 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 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
SCHEMBL13700830 0.88 LIPG (0.73) LIPGLPLPDGFRBKDRMAOA
SCHEMBL30065945 0.88 LIPG (0.73) LIPGLPLPDGFRBKDRMAOA
SCHEMBL15197437 0.88 LIPG (0.73) LIPGLPLPDGFRBKDRMAOA
SCHEMBL806784 0.88 LIPG (0.60) LIPGLPLCA1CA2CA9
SCHEMBL15197460 0.87 LIPG (0.71) LIPGLPLPDGFRBKDRMAOA
SCHEMBL22167036 0.87 LIPG (0.71) LIPGLPLPDGFRBKDRMAOA
SCHEMBL15458608 0.87 LIPG (0.71) LIPGLPLPDGFRBKDRMAOA
SCHEMBL15197431 0.87 LIPG (0.71) LIPGLPLPDGFRBKDRMAOA
SCHEMBL3362199 0.86 LIPG (0.70) LIPGLPLPDGFRBKDRMAOA
SCHEMBL29634298 0.86 LIPG (0.70) LIPGLPLPDGFRBKDRMAOA

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
CN-117659068-A Double-hole covalent organic framework material based on double connection bond constructed by trifunctional monomer and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-03-08 CN claimed
CN-117659068-A Double-hole covalent organic framework material based on double connection bond constructed by trifunctional monomer and preparation method thereof 电子科技大学长三角研究院(湖州) 2024-03-08 CN disclosed