SCHEMBL28942005

SCHEMBL28942005

C=C(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
RAB9A P51151 1/20 0.43
GRN P28799 4/20 0.43
SORT1 Q99523 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GPR35 Q9HC97 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
FABP4 P15090 1/20 0.38
XPO1 O14980 1/20 0.37
CASP1 P29466 1/20 0.37
DDR1 Q08345 1/20 0.36

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
SCHEMBL30363504 0.86 PKM (0.50) RAB9ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL28941981 0.86 PKM (0.50) RAB9ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL28941994 0.85 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2TSHRATMALDH1A1
SCHEMBL10347454 0.81 ABCB1 (0.43) ABCB1RAB9AGRNSORT1SMN1; SMN2
SCHEMBL28499074 0.78 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2TSHRATMALDH1A1
SCHEMBL28941990 0.78 ALDH1A1 (0.50) RAB9ASMN1; SMN2TSHRATMALDH1A1
SCHEMBL28941997 0.76 MAPT (0.51) SMN1; SMN2ALDH1A1GAATDP1MAPT
SCHEMBL1704844 0.75 ABCB1 (0.47) ABCB1SMN1; SMN2ATMALDH1A1GPR35
SCHEMBL28941993 0.75 MAPT (0.50) RAB9ASMN1; SMN2TSHRATMALDH1A1
SCHEMBL28963867 0.74 NPC1 (0.51) RAB9AALDH1A1MAPT

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