SCHEMBL8772002

SCHEMBL8772002

CC(C)(C)OC(=O)C1CCC(C(=O)OC(C)(C)C)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
BTK Q06187 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
GAA P10253 1/20 0.30
ADORA2B P29275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPN6 P29350 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
SCHEMBL186721 0.78 HRH3 (0.51) MAPK1HRH3ALDH1A1KMT2AHPGD
SCHEMBL1295721 0.78 HRH3 (0.51) MAPK1HRH3ALDH1A1KMT2AHPGD
SCHEMBL28492122 0.78 HRH3 (0.51) MAPK1HRH3ALDH1A1KMT2AHPGD
SCHEMBL3780480 0.76 MAPK1 (0.41) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL15497807 0.76 ALDH1A1 (0.43) HRH3NFKB1NFKB2RELAALDH1A1
SCHEMBL6283782 0.75 MAPK1 (0.46) MAPK1ALDH1A1KMT2ACHRM2CHRM1
SCHEMBL1139839 0.74 MAPK1 (0.40) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL10058228 0.74 MAPK1 (0.40) MAPK1HRH3NFKB1NFKB2RELA
SCHEMBL11013935 0.73 MAPK1 (0.42) MAPK1NFKB1NFKB2RELAALDH1A1
SCHEMBL31368099 0.73 MAPK1 (0.42) MAPK1HRH3NFKB1NFKB2RELA

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
EP-0601572-B1 Method for producing a spherical ion exchange resin MITSUBISHI CHEM CORP (JP) 1997-10-15 EP disclosed
EP-0601572-A2 Method for producing a spherical ion exchange resin Mitsubishi Chemical Corporation (JP) 1994-06-15 EP disclosed