SCHEMBL9065020

SCHEMBL9065020

CC(C)OC(=O)C1=C(Nc2ccccc2)CC(C(=O)O)=C(Nc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA7 P43166 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ ALOX15 P16050 2/20 0.38

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
SCHEMBL9065017 0.96 MAPT (0.51) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL3911817 0.87 LMNA (0.39) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL7621011 0.85 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL1415624 0.83 CASP3 (0.45) MAPTSMN1; SMN2HTTALDH1A1GAA
SCHEMBL3909913 0.80 MAPT (0.49) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3909905 0.80 MAPT (0.53) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL28825749 0.77 HPGD (0.55) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL9328298 0.77 ALDH1A1 (0.51) MAPTSMN1; SMN2RAB9ANPC1HTT
SCHEMBL3911808 0.75 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL3905204 0.73 NPC1 (0.47) MAPTSMN1; SMN2RAB9ANPC1LMNA

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
EP-0536083-B1 Process for the synthesis of dialkyl succinylsuccinate esters and their conversion to dialkyl 2,5-diarylamino-3,6-dihydroterephthalate esters CIBA GEIGY AG (CH) 1996-03-06 — — EP disclosed
EP-0536083-A1 Process for the synthesis of dialkyl succinylsuccinate esters and their conversion to dialkyl 2,5-diarylamino-3,6-dihydroterephthalate esters CIBA-GEIGY AG (CH) 1993-04-07 — — EP disclosed
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