SCHEMBL28240023

SCHEMBL28240023

CN1CCN(CCCNC(=O)c2cc(O)c(O)c(O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ RAD52 P43351 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SLC29A1 Q99808 1/20 0.55
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL31245936 0.86 MAPT (0.61) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL31246006 0.84 MAPT (0.63) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL5924297 0.83 RAD52 (0.59) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL31245846 0.82 MAPT (0.67) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL16227646 0.80 ALDH1A1 (0.69) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL178534 0.79 KMT2A (0.71) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL13286803 0.78 KDM4E (0.61) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL16784750 0.78 KDM4E (0.61) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL17599747 0.78 ALDH1A1 (0.63) MAPTRAD52ALDH1A1LMNASMN1; SMN2
SCHEMBL2949573 0.77 RAD52 (0.61) MAPTRAD52ALDH1A1LMNASMN1; SMN2

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
CN-108530314-B Gallic acid methyl ester analogue and application thereof 温州医科大学 2021-03-16 — — CN disclosed
CN-108530314-A A kind of gallicin analog and its application 温州医科大学 2018-09-14 — — CN disclosed
Send feedback