SCHEMBL4989677

SCHEMBL4989677

O=C(O)C(=O)CC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 3/20 0.62
MAPT P10636 3/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
POLB P06746 2/20 0.62
APAF1 O14727 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.62
MPO P05164 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
HIF1A Q16665 1/20 0.62
DNMT1 P26358 3/20 0.54
GAA P10253 2/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL9402455 0.89 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL7855506 0.88 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL2406326 0.83 KDM4E (0.69) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4987528 0.81 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL9449541 0.81 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
Tryptophan SCHEMBL5309760 0.80 KDM4E (0.76) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4628875 0.80 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL13762546 0.80 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL14458882 0.80 KDM4E (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL891879 0.78 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103555782-B Production of monatin and monatin precursors 嘉吉有限公司 2017-04-12 CN disclosed
US-8669080-B2 Mutated D-aminotransferase and method for producing optically active glutamic acid derivatives using the same AJINOMOTO CO., INC. (JP) 2014-03-11 US disclosed
US-8435765-B2 Polypeptides and biosynthetic pathways for the production of monatin and its precursors CARGILL, INCORPORATED (US) 2013-05-07 US disclosed
US-20080193975-A1 MUTATED D-AMINOTRANSFERASE AND METHOD FOR PRODUCING OPTICALLY ACTIVE GLUTAMIC ACID DERIVATIVES USING THE SAME AJINOMOTO CO., INC. (JP) 2008-08-14 US disclosed
US-7351569-B2 Aldolase and production process of substituted α-keto acids AJINOMOTO CO., INC. (JP) 2008-04-01 US disclosed
US-20050153405-A1 Novel aldolase and production process of substituted alpha-keto acids AJINOMOTO CO., INC. (JP) 2005-07-14 US disclosed