SCHEMBL29979756

SCHEMBL29979756

Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(O)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
JAK2 O60674 3/20 0.38
BTK Q06187 3/20 0.38
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HIF1A Q16665 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
F11 P03951 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
SCHEMBL16815290 1.00 LPL (0.39) LPLLIPGJAK2BTKESR1
SCHEMBL10269563 0.87 LPL (0.42) LPLLIPGJAK2BTKHIF1A
SCHEMBL27611992 0.84 JAK2 (0.35) LPLLIPGJAK2BTKESR1
SCHEMBL31518231 0.82 LPL (0.41) LPLLIPGJAK2BTK
SCHEMBL26814260 0.82 LPL (0.41) LPLLIPGJAK2BTK
SCHEMBL16076557 0.82 LPL (0.41) LPLLIPGJAK2BTK
SCHEMBL23057774 0.81 LPL (0.40) LPLLIPGJAK2BTKCA1
SCHEMBL29973574 0.81 LPL (0.40) LPLLIPGJAK2BTKCA1
SCHEMBL16815251 0.79 JAK2 (0.35) LPLLIPGJAK2BTKESR1
SCHEMBL26422891 0.79 LPL (0.39) LPLLIPGJAK2BTK

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-2022216945-A1 MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-10-13 WO disclosed