SCHEMBL5820138

SCHEMBL5820138

NC(=O)c1cc(C(=O)NCCC(=O)O)cc(C(=O)N(CCC(=O)O)CCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK2 Q16620 1/20 0.54
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
FABP4 P15090 1/20 0.42
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
MAPK1 P28482 2/20 0.39
SIRT5 Q9NXA8 2/20 0.37
NME4 O00746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
ADORA2A P29274 1/20 0.37
AVPR2 P30518 1/20 0.37
AGTR1 P30556 1/20 0.37
SLC6A4 P31645 1/20 0.37
AVPR1A P37288 1/20 0.37
HTR3A P46098 1/20 0.37
GCDH Q92947 1/20 0.37
SLC29A1 Q99808 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL7808014 0.85 NTRK2 (0.50) NTRK2
SCHEMBL15904061 0.81 NTRK2 (0.71) NTRK2CA1CA2POLBSMN1; SMN2
SCHEMBL18249527 0.81 NTRK2 (0.55) NTRK2MAPK1KDM4EALDH1A1LMNA
SCHEMBL394245 0.79 FABP4 (0.59) CA1CA2FABP4ITGB3ITGA2B
SCHEMBL17454898 0.78 NTRK2 (0.51) NTRK2ALDH1A1HPGD
SCHEMBL15106150 0.77 NTRK2 (0.50) NTRK2SMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9717435 0.76 MEN1 (0.45) TDP1POLBHPGDL3MBTL1
SCHEMBL17688583 0.76 NTRK2 (0.56) NTRK2CA2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7067047 0.76 NTRK2 (0.56) NTRK2CA2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3054699 0.72 HDAC1 (0.48)

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
WO-2006132989-A2 CLEANING METHOD AND SOLUTION FOR CLEANING A WAFER IN A SINGLE WAFER PROCESS APPLIED MATERIALS, INC. (US) 2006-12-14 WO disclosed