SCHEMBL30729658

SCHEMBL30729658

Cc1ccc(NC(=O)C(C)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
TDP1 Q9NUW8 1/20 0.57
POLB P06746 1/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KMT2A Q03164 1/20 0.50
KIF11 P52732 1/20 0.50
TGM2 P21980 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL178429 0.85 MAPT (0.71) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL28589171 0.82 MEN1 (0.57) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL28575872 0.82 MEN1 (0.57) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL12997450 0.82 MAPT (0.67) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL20150736 0.82 MAPT (0.67) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL28575869 0.82 MEN1 (0.57) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL10975281 0.82 MAPT (0.67) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL28589184 0.82 MEN1 (0.57) MAPTTDP1POLBALDH1A1LMNA
SCHEMBL28581175 0.82 MEN1 (0.57) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL26502909 0.82 MAPT (1.00) MAPTTDP1POLBALDH1A1LMNA

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-117623968-A Method for preparing N-substituted lactamide by catalyzing polylactic acid aminolysis with ionic liquid 中国科学院化学研究所 2024-03-01 CN disclosed