SCHEMBL7036253

SCHEMBL7036253

CC(CC(=O)O)OC(=O)C#CC(=O)OC(C)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MAPT P10636 1/20 0.31
FFAR1 O14842 1/20 0.31
TSHR P16473 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
SCHEMBL7036250 0.94 ALOX15 (0.32) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL1268762 0.78 SLC22A6 (0.39) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL29124667 0.77 SLC22A6 (0.40) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL29115657 0.77 SLC22A6 (0.40) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
Ammonia Solution, Strong SCHEMBL9958331 0.76 TDP1 (0.42) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL4683182 0.76 ALOX15 (0.57) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL10309227 0.76 ALOX15 (0.57) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL27637701 0.76 GABRP (0.37) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL19293651 0.74 ALOX15 (0.36) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3
SCHEMBL18526466 0.74 LMNA (0.54) ALOX15SLC22A6CACNA2D1SMN1; SMN2CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659421-B1 2-Phenyl-3-aroylbenzothiophenes for treating menstrual symptoms LILLY CO ELI (US) 2003-03-12 EP disclosed
EP-0659421-A1 2-Phenyl-3-azoylbenzothiophenes for treating menstrual symptoms ELI LILLY AND COMPANY (US) 1995-06-28 EP disclosed