SCHEMBL10839872

SCHEMBL10839872

COC(=O)NCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ TP53 P04637 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ GMNN O75496 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10839016 0.93 MAPT (0.57) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10840165 0.92 MAPT (0.56) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10839752 0.91 LMNA (0.51) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10840123 0.90 MAPT (0.46) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10838995 0.89 MAPT (0.45) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10839401 0.87 MAPT (0.47) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10973729 0.87 MAPT (0.65) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10838626 0.86 MAPT (0.58) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL2042610 0.86 MAPT (0.70) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3088578 0.86 MAPT (0.70) MAPTCYP1A2SMN1; SMN2CYP3A4ALDH1A1

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