SCHEMBL370058

SCHEMBL370058

CC(=O)CCc1cccc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
TSHR P16473 2/20 0.56
HTT P42858 2/20 0.56
MAPT P10636 1/20 0.55
IL1RN P18510 1/20 0.55
ALDH1A1 P00352 6/20 0.54
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MITF O75030 1/20 0.49
NOD2 Q9HC29 1/20 0.49

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
SCHEMBL17048441 0.80 ALDH1A1 (0.63) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL12327773 0.80 ALDH1A1 (0.63) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL2994061 0.79 GAA (0.63) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL256083 0.79 ALDH1A1 (0.63) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL1002282 0.79 ALDH1A1 (0.61) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL31728120 0.79 ALDH1A1 (0.61) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL6364945 0.77 ALDH1A1 (0.53) SMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL28004350 0.77 ALDH1A1 (0.64) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL16963746 0.77 ALDH1A1 (0.55) SMN1; SMN2LMNATSHRHTTMAPT
SCHEMBL5738424 0.76 TSHR (0.50) SMN1; SMN2LMNATSHRMAPTALDH1A1

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-2012009137-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed