SCHEMBL31335867

SCHEMBL31335867

CC(=O)Oc1cc(C)c(C)c(OC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
ELANE P08246 2/20 0.49
POLB P06746 1/20 0.47
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.44
ACHE P22303 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 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
SCHEMBL3292047 0.90 KDM4E (0.53) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL16521510 0.89 ALOX5 (0.48) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL6364662 0.87 LMNA (0.52) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL31229876 0.82 MAPT (0.49) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL2048079 0.82 MAPT (0.49) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL27625926 0.80 CYP3A4 (0.48) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL20099114 0.79 KDM4E (0.53) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL1257132 0.79 CYP4F2 (0.50) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL19983453 0.78 POLB (0.46) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL20289412 0.78 ELANE (0.44) KDM4EMAPTALDH1A1GLAGAA

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