SCHEMBL31131007

SCHEMBL31131007

CC(=O)OC[C@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2CO)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ USP2 O75604 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46

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
SCHEMBL2841102 1.00 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL9416756 0.92 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL9416758 0.92 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL8946212 0.92 CA2 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL9416773 0.90 CA12 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL9416771 0.90 CA12 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL8946221 0.89 HSD17B10 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL8967387 0.89 HSD17B10 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL8967390 0.89 HSD17B10 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL8009684 0.88 MEN1 (0.47) CA12CA1CA2CA4CA5A

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-4651911-A1 NEW SENESCENCE TRACER GENERATION Eberhard Karls Universität Tübingen, Medizinische Fakultät (DE) 2025-11-26 — — EP disclosed
WO-2024189080-A1 NEW SENESCENCE TRACER GENERATION EBERHARD KARLS UNIVERSITAET TUEBINGEN MEDIZINISCHE FAKULTAET (DE) 2024-09-19 — — WO disclosed
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