SCHEMBL10840165

SCHEMBL10840165

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.56
▸ CYP1A2 P05177 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HTT P42858 5/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ GAA P10253 1/20 0.43

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 0.92 MAPT (0.57) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
SCHEMBL10839872 0.92 MAPT (0.59) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
SCHEMBL21498953 0.85 MAPT (0.64) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
SCHEMBL18676812 0.85 MAPT (0.64) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
SCHEMBL10973729 0.84 MAPT (0.65) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
SCHEMBL10839752 0.83 LMNA (0.51) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
Quizalofop-P-Ethyl SCHEMBL29474422 0.82 MAPT (0.67) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
Quizalofop-P-Ethyl SCHEMBL53466 0.82 MAPT (0.67) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
Quizalofop Ethyl Ester SCHEMBL30406 0.82 MAPT (0.67) MAPTCYP1A2LMNASMN1; SMN2CYP3A4
Quizalofop Ethyl Ester SCHEMBL9139248 0.82 MAPT (0.67) MAPTCYP1A2LMNASMN1; SMN2CYP3A4

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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