SCHEMBL30545643

SCHEMBL30545643

COC(=O)c1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SLC7A5 Q01650 1/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
HIF1A Q16665 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 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
SCHEMBL7475416 1.00 CNR2 (0.42) CNR2ATMKDM4EALDH1A1SLC7A5
SCHEMBL1814092 0.91 KDM4E (0.44) KDM4EALDH1A1CA1CA2CA9
SCHEMBL3622568 0.85 LPL (0.41) ATMKDM4EALDH1A1CA1CA2
SCHEMBL30242746 0.85 CA1 (0.56) CNR2KDM4EALDH1A1CA1CA2
SCHEMBL2032625 0.85 CA1 (0.56) CNR2KDM4EALDH1A1CA1CA2
SCHEMBL21817189 0.84 CYP4A11 (0.38) KDM4EALDH1A1SLC7A5CA1CA2
SCHEMBL10209953 0.84 ATAD2 (0.42) CNR2ATMKDM4EALDH1A1CA1
SCHEMBL310685 0.84 NOTUM (0.47) KDM4EALDH1A1CA1CA2CA9
SCHEMBL1437728 0.84 ALDH1A1 (0.41) CNR2ATMKDM4EALDH1A1CA1
SCHEMBL16861683 0.84 ALDH1A1 (0.42) ATMKDM4EALDH1A1CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499609-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2025-02-05 EP disclosed
WO-2023192817-A9 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2024-10-03 WO disclosed
WO-2023192817-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2023-10-05 WO disclosed