SCHEMBL10838995

SCHEMBL10838995

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10840202 0.93 MAPT (0.44) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10840123 0.90 MAPT (0.46) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10839872 0.89 MAPT (0.59) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10839077 0.87 MAPT (0.42) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10839752 0.87 LMNA (0.51) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10839459 0.86 MAPT (0.44) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL733453 0.86 MAPT (0.53) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL10973801 0.85 MAPT (0.46) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL8508358 0.85 ALDH1A1 (0.51) MAPTCYP1A2CYP3A4ALDH1A1LMNA
SCHEMBL29393267 0.82 MAPT (0.58) MAPTCYP1A2CYP3A4ALDH1A1LMNA

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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