SCHEMBL28601719

SCHEMBL28601719

CC1(C)OB(c2cc(N)ccc2N)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.36
LIPG Q9Y5X9 13/20 0.36
CASP1 P29466 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
F11 P03951 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28919694 0.86 CASP1 (0.39) LPLLIPGCASP1CA1CA2
SCHEMBL29427266 0.85 ALDH1A1 (0.43) LPLLIPGCASP1CA1CA2
SCHEMBL393594 0.85 ALDH1A1 (0.43) LPLLIPGCASP1CA1CA2
SCHEMBL12481678 0.83 CYP3A4 (0.42) LPLLIPGCASP1CA1CA2
SCHEMBL21543816 0.83 LPL (0.33) LPLLIPGCA1CA2CA9
SCHEMBL29537826 0.83 CYP3A4 (0.42) LPLLIPGCASP1CA1CA2
SCHEMBL16048896 0.83 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL24252766 0.82 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL3191098 0.82 TDP1 (0.45) LPLLIPGCA1CA2CA9
SCHEMBL772615 0.81 LPL (0.49) LPLLIPGCA1CA2CA9

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-110204733-B Alpha-mannose modified donor-receptor type biopolymer material and preparation method and application thereof 长安大学 2021-07-02 CN disclosed