SCHEMBL28536711

SCHEMBL28536711

COc1ccc(C(=O)NC(C)(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
F10 P00742 1/20 0.53
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.51
PLAU P00749 1/20 0.51
ELANE P08246 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PLK1 P53350 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL28250190 0.86 POLB (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ACA1
SCHEMBL28525768 0.85 NPC1 (0.57) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28250055 0.84 F10 (0.54) MAPTF10ALDH1A1GAAKDM4E
SCHEMBL28250048 0.82 RAB9A (0.51) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL28908852 0.82 POLB (0.53) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL1969125 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1969127 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1970964 0.81 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4474873 0.81 KMT2A (0.61) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL4474867 0.81 KMT2A (0.61) MAPTALDH1A1GAAKDM4ESMN1; 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-108752232-B Synthetic method of alpha-quaternary carbon amino acid 四川大学 2021-03-19 CN disclosed
CN-108752232-A A kind of synthetic method of α-quaternary carbon amino acid 四川大学 2018-11-06 CN disclosed