SCHEMBL9719960

SCHEMBL9719960

CCCSc1cc(C(CCC(C(=O)O)c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc(OC)c1OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36
BPTF Q12830 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL9719895 0.90 ALDH1A1 (0.38) L3MBTL1MAPK1BPTFKDM4EALDH1A1
SCHEMBL9719067 0.81 SMN1; SMN2 (0.39) L3MBTL1MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9719908 0.80 L3MBTL1 (0.46) L3MBTL1MAPK1KDM4EALDH1A1MEN1
SCHEMBL9719963 0.75 L3MBTL1 (0.36) L3MBTL1MAPK1BPTFKDM4EALDH1A1
SCHEMBL7166547 0.74 AKR1C3 (0.54) L3MBTL1MAPK1KDM4EALDH1A1MEN1
SCHEMBL12499466 0.74 AKR1C3 (0.54) L3MBTL1MAPK1KDM4EALDH1A1MEN1
SCHEMBL500044 0.74 AKR1C3 (0.54) L3MBTL1MAPK1KDM4EALDH1A1MEN1
SCHEMBL7317653 0.72 POLB (0.45) L3MBTL1MAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9719058 0.72 ALDH1A1 (0.43) L3MBTL1MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9719894 0.70 PTAFR (0.37) KDM4EALDH1A1SMN1; SMN2LMNAMAPT

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
US-5132463-A Cardiovascular, skin, kidney, respiratory system, and gastrointestinal disorders MERCK & CO., INC. (US) 1992-07-21 US disclosed
US-5047420-A Platelet activating factor MERCK & CO., INC. (US) 1991-09-10 US disclosed