SCHEMBL31056271

SCHEMBL31056271

COC(=O)c1cc(C=O)c(O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.48
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17185290 0.95 ERN1 (0.49) ERN1CA12CA1CA2CA7
SCHEMBL26122042 0.86 ERN1 (0.46) ERN1CA12CA1CA2CA7
SCHEMBL1161943 0.84 ERN1 (0.51) ERN1CA12CA1CA2CA7
SCHEMBL29296039 0.84 ERN1 (0.47) ERN1CA12CA1CA2CA7
SCHEMBL31336100 0.84 ERN1 (0.51) ERN1CA12CA1CA2CA7
SCHEMBL22222148 0.82 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL22852526 0.82 ERN1 (0.43) ERN1LMNAGAAPOLBTSHR
SCHEMBL31056383 0.82 ALDH1A1 (0.50) ERN1LMNAGAAPOLBKDM4E
SCHEMBL22717494 0.81 ERN1 (0.53) ERN1CA12CA1CA2CA7
SCHEMBL15920665 0.81 ERN1 (0.44) ERN1CA12CA1CA2CA7

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed