SCHEMBL1693004

SCHEMBL1693004

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](O)C[C@H]1CN1C(=O)CSC1=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3948510 0.77 ACHE (0.37) ALDH1A1GAATP53KDM4EHPGD
SCHEMBL4765447 0.72 LMNA (0.36)
SCHEMBL3949961 0.69 LMNA (0.33)
SCHEMBL3948771 0.68 LMNA (0.33)
SCHEMBL1693102 0.65 MAPT (0.42) ALDH1A1POLBSMN1; SMN2GAANPSR1
SCHEMBL3955359 0.65 LMNA (0.39)
SCHEMBL3949505 0.64 ALDH1A1 (0.35) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL3950223 0.64 FFAR4 (0.34) POLBHPGDMEN1KMT2A
SCHEMBL3954955 0.64 PKM (0.36) ALDH1A1POLBSMN1; SMN2GAAMAPT
SCHEMBL1302820 0.62 LMNA (0.44)

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-2011149841-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-α MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 WO disclosed