SCHEMBL29015071

SCHEMBL29015071

COC(=O)C1OC(C)OC1c1ccccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ITGA4 P13612 1/20 0.39
BACE1 P56817 1/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 3/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
LMNA P02545 2/20 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
SCHEMBL15539970 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL29015072 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL15538986 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL28369045 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL28369418 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL30444347 1.00 MAPT (0.39) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL16808609 0.85 TSHR (0.40) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL27085618 0.85 TSHR (0.40) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL27085628 0.85 TSHR (0.40) MAPTALDH1A1ITGA4BACE1CYP2D6
SCHEMBL16808481 0.85 TSHR (0.40) MAPTALDH1A1ITGA4BACE1CYP2D6

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
CN-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed