SCHEMBL8896554

SCHEMBL8896554

COC(=O)C[C@H](Br)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KCNA5 P22460 2/20 0.32
SLC1A1 P43005 1/20 0.32
MMP1 P03956 1/20 0.31
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 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
SCHEMBL3249891 0.79 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL8899182 0.79 TSHR (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL1413253 0.79 MGAM (0.44) TSHRHSD17B10MGAMGAASI
SCHEMBL11274143 0.79 ZDHHC7 (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL13099488 0.78 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL11495744 0.77 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL133872 0.76 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL1444812 0.76 TET2 (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL12451759 0.76 MGAM (0.41) TSHRHSD17B10MGAMGAASI
SCHEMBL27848612 0.76 TSHR (0.39) TSHRHSD17B10MGAMGAASI

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
US-5629419-A Process for preparing 4-mercaptopyrrolidine intermediate compounds and a process for their use in preparing carbapenem -2-em-3 carboxylic acids TANABE SEIYAKU CO., LTD. (JP) 1997-05-13 US disclosed
EP-0713866-A1 Process for preparing 4-mercaptopyrrolidine compound TANABE SEIYAKU CO., LTD. (JP) 1996-05-29 EP disclosed