SCHEMBL31336100

SCHEMBL31336100

COC(=O)c1cc(C=O)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
GAA P10253 2/20 0.47
PTGS2 P35354 1/20 0.45
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MYC P01106 1/20 0.41
POLB P06746 2/20 0.41
XDH P47989 2/20 0.41

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
SCHEMBL1161943 1.00 ERN1 (0.51) ERN1CA12CA1CA2CA7
SCHEMBL18965629 0.88 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL22717494 0.86 ERN1 (0.53) ERN1CA12CA1CA2CA7
SCHEMBL31056006 0.84 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL31056271 0.84 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL31056011 0.84 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL17185290 0.82 ERN1 (0.49) ERN1CA12CA1CA2CA7
SCHEMBL1538335 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL15563611 0.81 ERN1 (0.48) ERN1CA12CA1CA2CA7
SCHEMBL19838007 0.81 PRKDC (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed