SCHEMBL5801461

SCHEMBL5801461

C=C(C[C@@H](N[S+]([O-])C(C)(C)C)C(=O)OCC)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 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
SCHEMBL5819711 1.00 MAPT (0.37) MAPTMAPK1NPSR1TSHRSMN1; SMN2
SCHEMBL5820016 0.85 KMT2A (0.37) MAPTHPGDALDH1A1KMT2ATHRB
SCHEMBL5797834 0.85 KMT2A (0.37) MAPTHPGDALDH1A1KMT2ATHRB
SCHEMBL5799304 0.83 KMT2A (0.43) MAPTTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5798028 0.83 KMT2A (0.43) MAPTTSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5801142 0.83 CYP26A1 (0.40) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL5800376 0.83 CYP26A1 (0.40) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL5801633 0.82 EPHX2 (0.41) MAPTNPSR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5797762 0.82 EPHX2 (0.41) MAPTNPSR1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5799405 0.81 MAPT (0.41) MAPTMAPK1NPSR1TSHRSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO claimed
WO-2006030208-A1 AMINO ACID UNIVERSITY OF LEEDS (GB) 2006-03-23 WO disclosed