SCHEMBL3434146

SCHEMBL3434146

C=CCSCCC(=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.37
SLC13A3 Q8WWT9 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
OR51E2 Q9H255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30
ABCC4 O15439 1/20 0.30
MAPT P10636 1/20 0.30
TBXA2R P21731 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
SCHEMBL131849 0.82
SCHEMBL11652342 0.81 ALOX5 (0.40) ALOX5SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL9287637 0.76
SCHEMBL11190913 0.76
SCHEMBL10454225 0.76
SCHEMBL722524 0.75 TSHR (0.54) MAPK1SLC13A3EGLN1OR51E2LMNA
SCHEMBL4541215 0.74 TSHR (0.59) ALOX5SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL11500199 0.74 SMN1; SMN2 (0.42) ALOX5SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL10503956 0.72 TSHR (0.52) ALOX5SMN1; SMN2LMNAKMT2AHSD17B10
SCHEMBL10454010 0.72 MAPT (0.47) ALOX5SMN1; SMN2LMNAKMT2AHSD17B10

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
JP-6316557-A None JP disclosed
EP-2066798-B1 PROCESS FOR THE PREPARATION OF 2-HYDROXY CARBOXYLIC ACIDS EMPLOYING BACTERIA OF THE GENUS PSEUDOMONAS, RHODOCOCCUS OR BACILLUS SUMITOMO CHEMICAL CO (JP) 2010-12-29 EP disclosed
JP-H06316557-A ALKYLTHIOFATTY ACID DERIVATIVE AND ITS PRODUCTION, AND AGENT FOR HEPATIC DISEASE, KIDNEY DISEASE, PANCREATIC DISEASE AND CEREBRAL DISEASE FUJI KAGAKU KOGYO KK 1994-11-15 JP disclosed