SCHEMBL10840348

SCHEMBL10840348

COC(=O)NCC(C)OC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SCN9A Q15858 8/20 0.41
▸ POLB P06746 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10837931 0.89 MAPT (0.46) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL10839459 0.87 MAPT (0.44) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL10839077 0.86 MAPT (0.42) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL11404881 0.85 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL10915307 0.81 TSHR (0.46) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL11304752 0.79 GAA (0.44) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL10839775 0.79 GAA (0.43) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL10838863 0.79 CYP1A2 (0.43) MAPTSCN9APOLBLMNASMN1; SMN2
SCHEMBL10838626 0.78 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1SCN9A
SCHEMBL9587752 0.78 MAPT (0.45) MAPTMEN1KMT2AL3MBTL1SCN9A

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-4582526-A Carbamic acid ester herbicides HOFFMANN-LA ROCHE INC. (US) 1986-04-15 — — US disclosed
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