SCHEMBL31703643

SCHEMBL31703643

CCOC(=O)[C@@H]1OCC[C@@H]1c1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ SLC6A4 P31645 6/20 0.41
▸ SLC6A3 Q01959 6/20 0.41
▸ SLC6A2 P23975 4/20 0.40
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39

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
SCHEMBL31703956 0.86 TSHR (0.60) TSHRMAPTPKM
SCHEMBL31703528 0.79 MAPT (0.43) MAPT
SCHEMBL2189830 0.79 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2MAPTPKM
SCHEMBL2189838 0.79 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2MAPTPKM
SCHEMBL2189833 0.79 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2MAPTPKM
SCHEMBL31703463 0.78 MAPT (0.42) TSHRMAPTPKM
SCHEMBL31703439 0.78 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2
SCHEMBL2188612 0.76 MAPT (0.45) SLC6A4SLC6A3SLC6A2MAPTPKM
SCHEMBL2189606 0.76 MAPT (0.45) SLC6A4SLC6A3SLC6A2MAPTPKM
SCHEMBL2189600 0.76 MAPT (0.45) SLC6A4SLC6A3SLC6A2MAPTPKM

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
WO-2025215536-A1 MACROCYCLIC PANRAS INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2025-10-16 — — WO disclosed
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