SCHEMBL31336006

SCHEMBL31336006

COCOc1cc(Cl)c(C=O)c(OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ERN1 O75460 2/20 0.36
BACE1 P56817 4/20 0.33
ROR1 Q01973 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TNFRSF1A P19438 1/20 0.32
ACLY P53396 1/20 0.31
CLCN2 P51788 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL24132612 0.90 ALDH1A1 (0.38) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL30401888 0.88 ERN1 (0.41) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL23043278 0.83 PRKDC (0.38) ERN1BACE1LMNAALDH1A1ACLY
SCHEMBL22633207 0.81 PRKDC (0.42) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL655644 0.81 ERN1 (0.58) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL2025457 0.79 ERN1 (0.38) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL14054810 0.79 KMT2A (0.36) LMNAALDH1A1
SCHEMBL28418398 0.77 ERN1 (0.57) ERN1BACE1LMNAALDH1A1CYP1A2
SCHEMBL8231856 0.76 L3MBTL1 (0.44) ALDH1A1
SCHEMBL5605156 0.76 ALDH1A1 (0.36) LMNAALDH1A1CYP1A2

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