SCHEMBL5801549

SCHEMBL5801549

C=C(C[C@@H](N[S+]([O-])C(C)(C)C)C(=O)OCC)c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL5799405 1.00 MAPT (0.41) MAPTKMT2AMEN1GAATAS1R3
SCHEMBL5798028 0.86 KMT2A (0.43) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5799304 0.86 KMT2A (0.43) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5820016 0.82 KMT2A (0.37) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5797834 0.82 KMT2A (0.37) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL5801461 0.81 MAPT (0.37) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL5819711 0.81 MAPT (0.37) MAPTKMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL5800376 0.81 CYP26A1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5801142 0.81 CYP26A1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5814731 0.78 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1SMN1; 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