SCHEMBL7585457

SCHEMBL7585457

CCCOC(=O)C(=O)C(F)C(=O)OCCC

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL1689788 0.78 EGLN1 (0.41) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL6320653 0.77 HCAR2 (0.36) HCAR2ALDH1A1TSHRLMNAESR1
SCHEMBL11767879 0.77 EGLN1 (0.39) ALDH1A1GAASMN1; SMN2TSHRLMNA
SCHEMBL7575941 0.75 GAA (0.38) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL9513524 0.75 HCAR2 (0.35) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL6588379 0.75
SCHEMBL138475 0.74 HCAR2 (0.48) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL22591380 0.73
Water SCHEMBL27557216 0.71 HCAR2 (0.46) HCAR2ALDH1A1GAASMN1; SMN2TSHR
SCHEMBL19978742 0.71

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
EP-0588372-B1 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL IND CO LTD (JP) 2002-10-02 EP disclosed
EP-0357792-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL IND CO LTD (JP) 1995-06-28 EP disclosed
EP-0588372-A1 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-23 EP disclosed
US-5252739-A Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL IND. CO., LTD. (JP) 1993-10-12 US disclosed
US-5175300-A Reacting a halo-oxalactic ester with 2-propenal and ammonia; cyclization SUGAI CHEMICAL IND. CO., LTD. (JP) 1992-12-29 US disclosed