SCHEMBL8535504

SCHEMBL8535504

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NCC(=O)c2ccccc2)C(O)C(C)O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EBP Q15125 2/20 0.77
▸ DHCR7 Q9UBM7 2/20 0.77
▸ MEN1 O00255 9/20 0.75
▸ KMT2A Q03164 9/20 0.75
▸ THRB P10828 8/20 0.75
▸ BLM P54132 7/20 0.75
▸ RECQL P46063 6/20 0.75
▸ TOP2A P11388 5/20 0.75
▸ TDP1 Q9NUW8 5/20 0.75
▸ HIF1A Q16665 5/20 0.75
▸ SMN1; SMN2 Q16637 5/20 0.75
▸ BRCA1 P38398 5/20 0.75
▸ MAPT P10636 4/20 0.75
▸ MAPK1 P28482 4/20 0.75
▸ HTT P42858 4/20 0.75
▸ PTGS1 P23219 3/20 0.75
▸ CHRM1 P11229 3/20 0.75
▸ TBXA2R P21731 3/20 0.75
▸ KDM4E B2RXH2 3/20 0.75
▸ ALDH1A1 P00352 3/20 0.75

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
SCHEMBL5579440 0.94 MEN1 (0.81) EBPDHCR7MEN1KMT2ATHRB
Hydrochloric Acid SCHEMBL27869989 0.94 MEN1 (0.81) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL27907464 0.92 MEN1 (0.78) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL7599040 0.92 MEN1 (0.80) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL18738448 0.92 MEN1 (0.81) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL43830 0.92 MEN1 (0.83) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL4018255 0.91 EBP (0.78) EBPDHCR7MEN1KMT2ATHRB
SCHEMBL29648502 0.91 EBP (0.78) EBPDHCR7MEN1KMT2ATHRB
Hydrochloric Acid SCHEMBL1771543 0.91 MEN1 (0.83) EBPDHCR7MEN1KMT2ATHRB
Hydrochloric Acid SCHEMBL27900762 0.91 MEN1 (0.83) EBPDHCR7MEN1KMT2ATHRB

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
US-5795560-A Targeting protein-diagnostic/therapeutic agent conjugates having Schiff base linkages NEORX CORPORATION (US) 1998-08-18 — — US disclosed
US-5633351-A Targeting protein-diagnostic/therapeutic agent conjugates having Schiff base linkages NEORX CORPORATION (US) 1997-05-27 — — US disclosed
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