SCHEMBL974789

SCHEMBL974789

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 2/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 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
SCHEMBL974790 0.87 APLNR (0.38) PAX8MEN1POLBKMT2ASMN1; SMN2
SCHEMBL8440784 0.79 PAX8 (0.41) PAX8MEN1POLBKMT2AALDH1A1
SCHEMBL17893390 0.74 HTT (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17892431 0.74 HTT (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23969223 0.74 HTT (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10955792 0.73
SCHEMBL15423564 0.73
SCHEMBL27995063 0.73
SCHEMBL16887593 0.73 TP53 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16875576 0.73 TP53 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101981018-B Method for separating fumaric acid and other secondary components during the production of maleic anhydride BASF SE 2013-07-24 CN disclosed
US-8476463-B2 Process for separating off fumaric acid and other minor components during the production of maleic anhydride BASF SE (DE) 2013-07-02 US disclosed
CN-101981018-A Method for separating fumaric acid and other secondary components during the production of maleic anhydride BASF SE 2011-02-23 CN disclosed
US-20110021789-A1 PROCESS FOR SEPARATING OFF FUMARIC ACID AND OTHER MINOR COMPONENTS DURING THE PRODUCTION OF MALEIC ANHYDRIDE BASF SE (DE) 2011-01-27 US disclosed
US-20090143601-A1 METHOD FOR PREVENTING FUMARIC ACID DEPOSITS IN THE PRODUCTION OF MALEIC ACID ANHYDRIDE BASF SE (DE) 2009-06-04 US disclosed