SCHEMBL29847271

SCHEMBL29847271

CC1(C)OB(c2ccc(-c3ccc4cc5ccccc5cc4c3)cc2)OC1(C)C

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.91
LPL P06858 12/20 0.91
SNCA P37840 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
DGAT1 O75907 1/20 0.40
P4HB P07237 1/20 0.40
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL28858119 1.00 LIPG (0.91) LIPGLPLSNCACA1CA2
SCHEMBL440456 0.95 LIPG (1.00) LIPGLPLSNCACA1CA2
SCHEMBL29892456 0.95 LIPG (1.00) LIPGLPLSNCACA1CA2
SCHEMBL15197479 0.95 LIPG (1.00) LIPGLPLSNCACA1CA2
SCHEMBL15600537 0.95 LIPG (1.00) LIPGLPLSNCACA1CA2
SCHEMBL27254468 0.91 LIPG (0.91) LIPGLPLSNCACA1CA2
SCHEMBL27254685 0.91 LIPG (0.91) LIPGLPLSNCACA1CA2
SCHEMBL19428979 0.90 LIPG (0.85) LIPGLPLSNCACA1CA2
SCHEMBL15678312 0.90 LIPG (0.85) LIPGLPLSNCACA1CA2
SCHEMBL26432745 0.90 LIPG (0.85) LIPGLPLSNCACA1CA2

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-115038706-A Compound, organic electroluminescent device and display device SK株式会社 2022-09-09 CN disclosed