SCHEMBL974790

SCHEMBL974790

COC(=O)C1(C)CCC(C(=O)O)CC1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
PAX8 Q06710 2/20 0.38
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
GRM4 Q14833 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.36
MTOR P42345 1/20 0.36
GRM1 Q13255 1/20 0.36
PLCB1 Q9NQ66 1/20 0.36
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL974789 0.87 PAX8 (0.38) PAX8CYP1A2POLBMEN1KMT2A
SCHEMBL151899 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL6944495 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL353161 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL6944486 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL353162 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL9134965 0.82 GRM2 (0.44) APLNRGRM2GRM3GRM4CYP2C19
SCHEMBL8440784 0.79 PAX8 (0.41) PAX8POLBMEN1KMT2AALDH1A1
SCHEMBL15967434 0.77 APLNR (0.31) APLNR
SCHEMBL8734101 0.74 GRM2 (0.35) APLNRGRM2GRM3GRM4CYP2C19

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