SCHEMBL28676530

SCHEMBL28676530

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(=O)C(C)NC(=O)c2ccncc2)[C@H](O)[C@H](C)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 2/20 0.61
▸ DHCR7 Q9UBM7 2/20 0.61
▸ S100A4 P26447 5/20 0.60
▸ PAX8 Q06710 4/20 0.60
▸ HSP90AA1 P07900 3/20 0.60
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ THRB P10828 7/20 0.60
▸ BLM P54132 6/20 0.60
▸ TOP2A P11388 5/20 0.60
▸ RECQL P46063 5/20 0.60
▸ TDP1 Q9NUW8 5/20 0.60
▸ HIF1A Q16665 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ BRCA1 P38398 4/20 0.60
▸ HTT P42858 4/20 0.60
▸ PTGS1 P23219 3/20 0.60
▸ CHRM1 P11229 3/20 0.60
▸ TBXA2R P21731 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60

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
SCHEMBL17345374 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL18821853 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL18787089 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL28667008 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL19231138 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL19565420 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL18806491 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL19231139 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL18787141 1.00 EBP (0.61) EBPDHCR7S100A4PAX8HSP90AA1
SCHEMBL19565417 0.96 EBP (0.55) EBPDHCR7S100A4PAX8HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113967258-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-25 — — CN disclosed
CN-113956325-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2022-01-21 — — CN disclosed
CN-113786495-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2021-12-14 — — CN disclosed
CN-106573073-B FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2021-09-28 — — CN disclosed
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