SCHEMBL31335652

SCHEMBL31335652

Cc1c(Cl)c(O)cc2c1C(=O)OC(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 5/20 0.35
PTPN1 P18031 6/20 0.33
PARP1 P09874 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACLY P53396 3/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMAD3 P84022 1/20 0.30
FTO Q9C0B1 1/20 0.30

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
SCHEMBL31335604 0.79 TDP1 (0.43) TDP1L3MBTL1TSHRALDH1A1PTPN1
SCHEMBL31014100 0.79 ALDH1A1 (0.41) TDP1L3MBTL1TSHRALDH1A1PTPN1
SCHEMBL26604721 0.79 ALDH1A1 (0.41) TDP1L3MBTL1TSHRALDH1A1PTPN1
SCHEMBL30645929 0.76 MEN1 (0.42) TDP1L3MBTL1TSHRALDH1A1CYP1A2
SCHEMBL15762161 0.76 MEN1 (0.42) TDP1L3MBTL1TSHRALDH1A1CYP1A2
SCHEMBL31335562 0.75 TDP1 (0.35) TDP1L3MBTL1TSHR
SCHEMBL9155082 0.73 ALDH1A1 (0.57) TDP1L3MBTL1TSHRALDH1A1PTPN1
SCHEMBL9286375 0.72 CYP19A1 (0.53) TDP1L3MBTL1TSHRALDH1A1PTPN1
SCHEMBL26604911 0.72 MAPT (0.36) TDP1TSHRALDH1A1PTPN1CYP1A2
SCHEMBL31013939 0.71 ALDH1A1 (0.40) TDP1L3MBTL1TSHRALDH1A1PTPN1

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