SCHEMBL9719895

SCHEMBL9719895

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BPTF Q12830 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL9719960 0.90 L3MBTL1 (0.38) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9719904 0.80 MAPK1 (0.49) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9719899 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7311711 0.72 KMT2A (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL28975450 0.71 MAPK1 (0.48) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9719067 0.70 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL9719922 0.68 POLB (0.39) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9719908 0.68 L3MBTL1 (0.46) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL9719906 0.67 BPTF (0.35) ALDH1A1KDM4EMAPK1BPTFPOLB
SCHEMBL9719903 0.67 BPTF (0.35) ALDH1A1KDM4EMAPK1BPTFPOLB

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