SCHEMBL973742

SCHEMBL973742

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
NR4A2 P43354 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GRM6 O15303 1/20 0.46
GRM5 P41594 1/20 0.46
PDE10A Q9Y233 2/20 0.46
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL973740 0.92 NR4A2 (0.58) MEN1KMT2ANR4A2SMN1; SMN2TSHR
SCHEMBL655431 0.86 PDE10A (0.57) MEN1KMT2ATSHRCA12CA1
SCHEMBL30881971 0.85 NR4A2 (0.54) MEN1KMT2ANR4A2SMN1; SMN2TSHR
SCHEMBL3194807 0.82 MEN1 (0.60) MEN1KMT2ANR4A2SMN1; SMN2TSHR
SCHEMBL25208564 0.82 LMNA (0.47) MEN1KMT2ATSHRLMNACA12
SCHEMBL28852177 0.82 LMNA (0.47) MEN1KMT2ATSHRLMNACA12
SCHEMBL28032836 0.81 MEN1 (0.63) MEN1KMT2ANR4A2SMN1; SMN2TSHR
SCHEMBL29086895 0.78 LMNA (0.44) MEN1KMT2ATSHRLMNACA12
SCHEMBL7167668 0.78 LMNA (0.44) MEN1KMT2ATSHRLMNACA12
SCHEMBL27627739 0.78 LMNA (0.44) MEN1KMT2ATSHRLMNACA12

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