SCHEMBL7375852

SCHEMBL7375852

CCCC(=O)c1ccc(C(O)C2CCCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.42
SLC6A3 Q01959 8/20 0.41
HPGD P15428 2/20 0.41
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4D Q08499 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10562369 0.87 USP5 (0.48) SLC6A3CYP2D6SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1128830 0.73 SLC6A3 (0.45) SLC6A3HPGDSMN1; SMN2ALDH1A1
SCHEMBL9891700 0.73 SLC6A3 (0.40) SLC6A3HPGDSMN1; SMN2ALDH1A1
SCHEMBL31618596 0.73 SLC6A3 (0.56) SLC6A3HPGDCYP2D6L3MBTL1
SCHEMBL4566341 0.69 SLC6A3 (0.50) SLC6A3HPGDSMN1; SMN2PDE4DPDE4A
SCHEMBL1237578 0.68 POLB (0.42) SLC6A3ALDH1A1
SCHEMBL26254861 0.68 HSD17B3 (0.82) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11348436 0.68 SLC6A3 (0.50) SLC6A3HPGDCYP2D6SMN1; SMN2L3MBTL1
SCHEMBL11464173 0.67 USP5 (0.70) HSD17B3HPGDSMN1; SMN2L3MBTL1
SCHEMBL11465783 0.67 HAO1 (0.60) HSD17B3HPGDSMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0308785-A2 Dihydropyridine ethers, processes for their preparation and their utilisation BAYER AG (DE) 1989-03-29 EP disclosed