SCHEMBL8968922

SCHEMBL8968922

COC(=O)C1C2CCC(O2)C1OC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 3/20 0.64
PTPN1 P18031 3/20 0.64
PPP1CC P36873 3/20 0.64
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
PMP22 Q01453 1/20 0.44
TFPI2 P48307 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
THPO P40225 1/20 0.44
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 5/20 0.43

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
SCHEMBL8080046 0.81 PPM1B (0.84) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL6549231 0.79 TFPI2 (0.48) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL390763 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL15590874 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL8758857 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL2332679 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL9460572 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL26613051 0.78 PPM1B (1.00) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL25641810 0.77 PPM1B (0.56) PPM1BPTPN1PPP1CCKDM4EGMNN
SCHEMBL18235530 0.74 PPM1B (0.72) PPM1BPTPN1PPP1CCKDM4EGMNN

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
EP-0470469-B1 2-Oxa-3-alkoxy-7-hydroxy-bicyclo[2.2.1]heptanes BASF AG (DE) 1996-03-13 EP disclosed