SCHEMBL973740

SCHEMBL973740

COC(=O)c1c(C(=O)OC)c(C)c2ccccc2c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM6 O15303 1/20 0.47
GRM5 P41594 1/20 0.47
NCEH1 Q6PIU2 1/20 0.46

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
SCHEMBL973742 0.92 MEN1 (0.59) NR4A2CA12CA1CA2CA7
SCHEMBL30881971 0.92 NR4A2 (0.54) NR4A2CA12CA1CA2CA7
SCHEMBL70573 0.84 CA12 (0.60) NR4A2CA12CA1CA2CA7
SCHEMBL11786743 0.82 CA12 (0.58) NR4A2CA12CA1CA2CA7
SCHEMBL10058490 0.79 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3319109 0.79 MEN1 (0.75) NR4A2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31442663 0.79 MEN1 (0.75) NR4A2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL14767763 0.77 KDM4E (0.71) NR4A2LMNAMAPK1MEN1KMT2A
SCHEMBL15295389 0.77 CA12 (0.58) NR4A2CA12CA1CA2CA7
SCHEMBL3194807 0.77 MEN1 (0.60) NR4A2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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