SCHEMBL7266902

SCHEMBL7266902

CC(N)=C(CCO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.35
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
THRB P10828 1/20 0.34
PGGT1B P53609 1/20 0.34
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
SLC15A2 Q16348 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7266900 1.00 GRIK1 (0.35) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL15373390 0.82 BLM (0.35) LMNAALOX15BLMPMP22LDHA
SCHEMBL3133846 0.80 HDAC3 (0.43) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL12490349 0.80 HDAC3 (0.43) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL12200413 0.79 GRIK1 (0.43) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL19813750 0.79 FNTA (0.37) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL19813751 0.79 FNTA (0.37) GRIK1FNTAFNTBTHRBPGGT1B
Bromide SCHEMBL20239734 0.78 FNTA (0.42) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL7440851 0.78 GRIK1 (0.34) GRIK1FNTAFNTBTHRBPGGT1B
SCHEMBL7440860 0.78 GRIK1 (0.34) GRIK1FNTAFNTBTHRBPGGT1B

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
EP-0241281-B1 Substituted thiacycloalkeno [3,2-b] pyridines, methods of preparation, compositions and method of use ORTHO PHARMA CORP (US) 1994-07-27 EP disclosed
US-4879384-A CYCLIC THIAALKANONE DIOXIDE AND UNSATURATED AMINE ESTER ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-07 US disclosed
US-4845225-A CARDIOVASCULAR, ANTIASTHMATIC AND ANTIBRONCHOCONSTRICTOR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-07-04 US disclosed
US-4777167-A CALCIUM CHANNEL ANTAGONIST, ANTICOAGULANTS, ANTIASTHMATIC, BRONCHODILATOR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-10-11 US disclosed
US-4705785-A Substituted thiacycloalkeno (3,2-b) pyridines and pharmaceutical compositions and method of use ORTHO PHARMACEUTICAL CORPORATION (US) 1987-11-10 US disclosed
EP-0241281-A2 Substituted thiacycloalkeno [3,2-b] pyridines, methods of preparation, compositions and method of use ORTHO PHARMACEUTICAL CORPORATION (US) 1987-10-14 EP disclosed