SCHEMBL25663553

SCHEMBL25663553

CCOC1OC(CO)[C@@H](O[C@@H]2OC(CO)[C@H](C)C(O)C2N)C(O)C1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ LRAT O95237 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ FGF1 P05230 1/20 0.39
▸ GJB2 P29033 1/20 0.38

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
SCHEMBL13049456 0.93 MEN1 (0.44) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL14067017 0.93 MEN1 (0.44) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL14065596 0.93 MEN1 (0.44) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL22562799 0.90 CA1 (0.39) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL13821014 0.89 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL16589514 0.86 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL19718576 0.86 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL11941427 0.86 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL13488460 0.86 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR
SCHEMBL104374 0.86 MEN1 (0.46) MEN1LRATTRPV1HSD17B10TSHR

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
US-11647774-B2 Substance mixtures SYMRISE AG (DE) 2023-05-16 — — US disclosed
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