SCHEMBL9015733

SCHEMBL9015733

CC(C)(C)OC(=O)C1OOC1C(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DGAT1 O75907 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7787915 0.77 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL1191602 0.77 MAPK1 (0.40) MAPK1DGAT1
SCHEMBL18176808 0.75 MAPK1 (0.40) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL12309462 0.75 MAPK1 (0.40) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL14968136 0.71 MAPK1 (0.42) MAPK1DGAT1
SCHEMBL27094496 0.70 MAPK1 (0.41) MAPK1DGAT1
SCHEMBL28431731 0.69 MAPK1 (0.34) MAPK1
SCHEMBL16272964 0.68 MAPK1 (0.43) MAPK1DGAT1
SCHEMBL1298054 0.67 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3DGAT1
SCHEMBL3148606 0.67 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3DGAT1

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-5516856-A IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-05-14 US disclosed
US-5051531-A As polymerization catalysts and for crosslinking ATOCHEM NORTH AMERICA, INC. (US) 1991-09-24 US disclosed