SCHEMBL28033169

SCHEMBL28033169

CC(=O)SC(C)C(C)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL17938008 0.77 TP53 (0.36) TSHR
SCHEMBL5549439 0.77 TP53 (0.36) TSHR
SCHEMBL11490831 0.75 TSHR (0.31) TSHR
SCHEMBL25764373 0.74
SCHEMBL10254715 0.71 SMN1; SMN2 (0.38) TSHR
SCHEMBL1970742 0.71 SMN1; SMN2 (0.38) TSHR
SCHEMBL8675050 0.71 TP53 (0.44) LMNAALOX15BLMPMP22
SCHEMBL22893306 0.70
SCHEMBL19891782 0.70 EPHX1 (0.38) LMNAALOX15BLMPMP22
SCHEMBL819540 0.69 ALDH1A1 (0.41) LMNAALOX15TSHR

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
CN-102659643-B A kind of by α, beta-unsaturated acyl amine prepares the method replacing Homotaurine BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2015-10-14 CN disclosed