SCHEMBL23949527

SCHEMBL23949527

CC1(C)OB(c2ccc(I)cc2N)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
F11 P03951 1/20 0.31
P2RX7 Q99572 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
SCHEMBL23140035 0.87 LPL (0.34) LPLLIPGCA1CA2CA9
SCHEMBL28919694 0.81 CASP1 (0.39) LPLLIPGCA1CA2CA9
SCHEMBL771975 0.80 TDP1 (0.48) LPLLIPGCA1CA2CA9
SCHEMBL12330332 0.79 CA2 (0.38) LPLLIPGCA1CA2CA9
SCHEMBL17080508 0.79 LPL (0.40) LPLLIPGP2RX7
SCHEMBL25622949 0.79 LPL (0.35) LPLLIPGCA1CA2CA9
SCHEMBL17501095 0.79 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL29395578 0.79 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL771814 0.79 CYP3A4 (0.47) LPLLIPG
SCHEMBL25797776 0.76 ALDH1A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4137481-A1 ARYL OR HETEROARYL DERIVATIVE Teijin Pharma Limited (JP) 2023-02-22 EP disclosed
WO-2021210650-A1 ARYL OR HETEROARYL DERIVATIVE 帝人ファーマ株式会社 2021-10-21 WO disclosed