SCHEMBL8712367

SCHEMBL8712367

CC(C)(C)OC(=O)CN1C(=O)CCC1COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.34
PLA2G5 P39877 2/20 0.34
CASP3 P42574 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CCKBR P32239 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
SCHEMBL8712263 0.82 PLA2G10 (0.37) PLA2G10PLA2G5KDM4EALDH1A1CCKBR
SCHEMBL8705973 0.81 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CCKBR
SCHEMBL8708692 0.80 FKBP1A (0.35) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL24726898 0.76 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CCKBR
SCHEMBL782927 0.76 CHRM2 (0.40) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL1649644 0.76 KCNA5 (0.38)
SCHEMBL17951050 0.74 PLA2G10 (0.42) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL18204610 0.74 PLA2G10 (0.42) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9383235 0.73 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CCKBR
SCHEMBL9382253 0.73 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CCKBR

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