SCHEMBL28941997

SCHEMBL28941997

C=C(NC(=O)c1ccc(F)cc1)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CASP3 P42574 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL28941990 0.88 ALDH1A1 (0.50) MAPTKDM4ELMNAGAATDP1
SCHEMBL28941998 0.85 NPSR1 (0.52) MAPTLMNAGAAKMT2ATRPV1
SCHEMBL28941994 0.85 SMN1; SMN2 (0.57) MAPTKDM4ELMNAGAATDP1
SCHEMBL28499074 0.84 SMN1; SMN2 (0.60) MAPTKDM4ELMNAGAAKMT2A
SCHEMBL28941993 0.84 MAPT (0.50) MAPTLMNATDP1KMT2AMEN1
SCHEMBL10347761 0.81 MAPT (0.50) MAPTKDM4ELMNAGAATDP1
SCHEMBL11965122 0.79 MAPT (0.49) MAPTKDM4ELMNAGAATDP1
SCHEMBL9141441 0.79 MAPT (0.54) MAPTKDM4ELMNAGAATDP1
SCHEMBL28963867 0.77 NPC1 (0.51) MAPTKDM4EKMT2AMEN1CASP3
SCHEMBL25397951 0.77 GAA (0.66) MAPTKDM4ELMNAGAATDP1

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-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed