SCHEMBL8712263

SCHEMBL8712263

CC(C)(C)OC(=O)CN1C(=O)CCC1CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.37
PLA2G5 P39877 2/20 0.37
NR1H2 P55055 1/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BRD4 O60885 1/20 0.33
CCKBR P32239 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 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
SCHEMBL8705973 0.87 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CHRM2
SCHEMBL8712367 0.82 PLA2G10 (0.34) PLA2G10PLA2G5KDM4EALDH1A1CCKBR
SCHEMBL24726898 0.82 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CHRM2
SCHEMBL782927 0.82 CHRM2 (0.40) PLA2G10PLA2G5KDM4EALDH1A1CHRM2
SCHEMBL8708692 0.80 FKBP1A (0.35) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL18212788 0.80 PLA2G10 (0.36) PLA2G10PLA2G5NR1H2KDM4EALDH1A1
SCHEMBL18204610 0.79 PLA2G10 (0.42) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL17951050 0.79 PLA2G10 (0.42) PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL9383235 0.78 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CHRM2
SCHEMBL9382253 0.78 PLA2G10 (0.39) PLA2G10PLA2G5KDM4EALDH1A1CHRM2

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-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
WO-1996011200-A1 PURINE AND GUANINE COMPOUNDS AS INHIBITORS OF PNP CHIROSCIENCE LIMITED (GB) 1996-04-18 WO disclosed