SCHEMBL28564924

SCHEMBL28564924

O=C(CCCCOc1ccc2c(c1)OCO2)Oc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ TSHR P16473 4/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MAOB P27338 6/20 0.55
▸ MAOA P21397 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.49
▸ FKBP1A P62942 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL28557828 0.99 MAPT (0.54) MAPTTSHRNPSR1MAOBMAOA
SCHEMBL28564398 0.92 TSHR (0.61) MAPTTSHRNPSR1MAOBMAOA
SCHEMBL15487116 0.85 MAPT (0.54) MAPTTSHRNPSR1ALDH1A1LMNA
SCHEMBL8355712 0.84 TSHR (0.68) MAPTTSHRMAOBMAOAALDH1A1
SCHEMBL28566805 0.82 FKBP1A (0.60) MAPTTSHRNPSR1MAOBALDH1A1
SCHEMBL11802724 0.82 MAOB (0.72) MAPTTSHRMAOBMAOAALDH1A1
SCHEMBL8282265 0.81 MAPT (0.58) MAPTTSHRNPSR1ALDH1A1LMNA
SCHEMBL2926027 0.81 TSHR (0.71) MAPTTSHRMAOBMAOAALDH1A1
SCHEMBL28490944 0.80 MAOB (0.64) MAPTTSHRNPSR1MAOBMAOA
SCHEMBL108114 0.80 MAOB (0.74) MAPTTSHRMAOBMAOAALDH1A1

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
CN-110407801-B 3, 4-methylenedioxy phenoxy fibrate- (3, 4-methylenedioxy) phenyl ester compound and application thereof in reducing blood fat 陕西中医药大学 2020-12-22 — — CN disclosed
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