SCHEMBL14357553

SCHEMBL14357553

C=C(C)C(=O)OCC(O)CNc1ccc(NCCN(CC(=O)O)CC(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ADRB2 P07550 4/20 0.36
ADRB1 P08588 4/20 0.36
ADRB3 P13945 4/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
ABCB1 P08183 6/20 0.34

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
SCHEMBL5323074 0.98 MAPT (0.39) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL11132402 0.83 ADRB2 (0.50) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL14932613 0.82 TSHR (0.41) ADRB2ADRB1ADRB3TSHRABCB1
SCHEMBL29813532 0.80 MAPT (0.45) MAPTADRB2ADRB1ADRB3HTT
N,N'-Diphenyl-P-Phenylenediamine SCHEMBL4231187 0.79 MAPT (0.54) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL98079 0.79 MAPT (0.54) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL5324387 0.78 MAPT (0.44) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL8064243 0.78 ADRB2 (0.50) MAPTADRB2ADRB1ADRB3HTT
SCHEMBL14357550 0.74 RXFP1 (0.47) MAPTSMN1; SMN2POLB
SCHEMBL1469210 0.74 MAPT (0.41) MAPTADRB2ADRB1ADRB3HTT

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
US-20070254378-A1 CHELATING MONOMERS AND POLYMERS BIO-RAD LABORATORIES, INC. (US) 2007-11-01 US disclosed