SCHEMBL10839016

SCHEMBL10839016

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ PMP22 Q01453 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ L3MBTL1 Q9Y468 5/20 0.47
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ EPHX2 P34913 2/20 0.41
▸ KMT2A Q03164 2/20 0.40

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
SCHEMBL10839872 0.93 MAPT (0.59) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL10840165 0.92 MAPT (0.56) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL10840202 0.90 MAPT (0.44) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop-P-Ethyl SCHEMBL53466 0.89 MAPT (0.67) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop Ethyl Ester SCHEMBL9139248 0.89 MAPT (0.67) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop-P-Ethyl SCHEMBL29474422 0.89 MAPT (0.67) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop Ethyl Ester SCHEMBL30406 0.89 MAPT (0.67) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop Ethyl Ester SCHEMBL23045020 0.88 MAPT (0.66) MAPTLMNACYP1A2CYP3A4ALDH1A1
Quizalofop-P-Ethyl SCHEMBL23045019 0.88 MAPT (0.66) MAPTLMNACYP1A2CYP3A4ALDH1A1
SCHEMBL10973729 0.87 MAPT (0.65) MAPTLMNACYP1A2CYP3A4ALDH1A1

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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