SCHEMBL10477570

SCHEMBL10477570

CO[C@H]1C[C@H](CNC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ STAT3 P40763 5/20 0.32
▸ FUCA1 P04066 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10477578 1.00 NQO2 (0.33) NQO2MTNR1AMTNR1BSTAT3FUCA1
SCHEMBL3575345 0.82 NQO2 (0.35) NQO2MTNR1AMTNR1BALDH1A1POLB
SCHEMBL11414378 0.77 DGAT2 (0.37) STAT3
SCHEMBL11153114 0.77 DGAT2 (0.37) STAT3
SCHEMBL11313291 0.77 DGAT2 (0.37) STAT3
SCHEMBL11160918 0.77 DGAT2 (0.37) STAT3
SCHEMBL19852932 0.77 DGAT2 (0.37) STAT3
SCHEMBL11421254 0.77 DGAT2 (0.37) STAT3
SCHEMBL10040064 0.72 STAT3 (0.36) STAT3
SCHEMBL11420286 0.70 — —

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-4839346-A Antitumor anthracycline glycosides, intermediates thereof, and composition and use thereof FARMITALIA CARLO ERBA S.P.A. (IT) 1989-06-13 — — US disclosed
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