SCHEMBL19918521

SCHEMBL19918521

CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.42
LIPG Q9Y5X9 9/20 0.42
HIF1A Q16665 4/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ROCK1 Q13464 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
ESR2 Q92731 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL23084651 0.79 CA1 (0.40) LPLLIPGCA1CA2CA9
SCHEMBL2787680 0.79 LPL (0.45) LPLLIPGCA1CA2CA9
SCHEMBL21341781 0.78 LIPG (0.51) LPLLIPGHIF1ACA1CA2
SCHEMBL19934177 0.78 LIPG (0.45) LPLLIPGHIF1ACA1CA2
SCHEMBL8515351 0.77 HIF1A (0.38) LPLLIPGHIF1ACA1CA2
SCHEMBL21236362 0.77 LIPG (0.50) LPLLIPGHIF1ACA1CA2
SCHEMBL16866325 0.75 LIPG (0.49) LPLLIPGHIF1ACA1CA2
SCHEMBL21706023 0.74 LIPG (0.47) LPLLIPGHIF1ACA1CA2
SCHEMBL21682668 0.74 HIF1A (0.50) LPLLIPGHIF1ACA1CA2
SCHEMBL25858474 0.73 LPL (0.36) LPLLIPGHIF1ACA1CA2

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
WO-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 WO disclosed