SCHEMBL11099319

SCHEMBL11099319

CCOC(=O)OC(=O)C1C2CCC(O2)C1C(=O)OC1(C)CCC(C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 4/20 0.44
PTPN1 P18031 3/20 0.44
PPP1CC P36873 3/20 0.44
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SOAT1 P35610 1/20 0.31

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
SCHEMBL10811356 0.79 PPM1B (0.33) PPM1BPTPN1PPP1CC
SCHEMBL6897358 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1SOAT1
SCHEMBL10818887 0.75 PPM1B (0.58) PPM1BPTPN1PPP1CCKDM4EMEN1
SCHEMBL11100040 0.73
SCHEMBL11099314 0.72 PPM1B (0.41) PPM1BPTPN1PPP1CCKDM4EMEN1
SCHEMBL17716490 0.70 SOAT1 (0.47) PPM1BPTPN1PPP1CCMEN1ALDH1A1
SCHEMBL4063068 0.69 SCN1A (0.30)
SCHEMBL10813041 0.69 PPM1B (0.42) PPM1BPTPN1PPP1CCKDM4EMEN1
SCHEMBL118103 0.68 ALOX15 (0.34)
SCHEMBL11095745 0.68

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-0122038-A1 7-Oxabicycloheptane prostaglandin intermediates and method for preparing same E.R. Squibb & Sons, Inc. (US) 1984-10-17 EP disclosed