SCHEMBL8708552

SCHEMBL8708552

COC(=O)C(C)[C@@H]1CCC[C@@H](COS(C)(=O)=O)O1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8708858 0.80 TRPA1 (0.36) TRPA1MEN1KMT2ACA14HTT
SCHEMBL8708555 0.73 CA12 (0.33) LMNACA14
SCHEMBL8708554 0.73 CA12 (0.33) LMNACA14
SCHEMBL8711480 0.70 ACHE (0.31) LMNA
SCHEMBL1099541 0.70 TRPA1 (0.34) TRPA1MEN1KMT2ACA14HTT
SCHEMBL31374766 0.70 TRPA1 (0.34) TRPA1MEN1KMT2ACA14HTT
SCHEMBL31374767 0.70 TRPA1 (0.34) TRPA1MEN1KMT2ACA14HTT
SCHEMBL12869959 0.69 KDM4E (0.37) LMNA
SCHEMBL8710178 0.67 MIF (0.32)
SCHEMBL8710658 0.66

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5736549-A INHIBITORS OF PURINE NUCLEOSIDE PHOSPHORYLASE, USED FOR TREATING OR PREVENTING TISSUE REJECTION OR SELECTIVE SUPPRESSION OF MAMMALIAN T-CELL FUNCTION CHIROSCIENCE LIMITED (GB) 1998-04-07 US disclosed
EP-0784624-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP Chiroscience Limited (GB) 1997-07-23 EP disclosed
WO-1996011200-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed