SCHEMBL10102576

SCHEMBL10102576

C=S(=O)(c1ccccc1)N(C)c1ccc(CCCC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
ADRA1A P35348 1/20 0.51
HDAC4 P56524 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NFKB1 P19838 2/20 0.50
CYP2D6 P10635 2/20 0.50
GMNN O75496 1/20 0.50

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
SCHEMBL10102484 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL27881095 0.75 HDAC1 (0.67) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL472311 0.75 ALDH1A1 (0.61) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL19248976 0.74 HDAC1 (0.65) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
Phenylbutanoic Acid SCHEMBL31228551 0.73 HDAC1 (0.95) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL10102760 0.72 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL14810684 0.72 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
Phenylbutanoic Acid SCHEMBL28655271 0.71 HDAC1 (0.84) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL18220911 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3
SCHEMBL15484710 0.71 SMN1; SMN2 (0.65) SMN1; SMN2MAPK1HDAC1HDAC8HDAC3

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
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed