SCHEMBL9719899

SCHEMBL9719899

CCCc1sc(C(CCC(C(=O)OC)c2cc(OC)c(OC)c(OC)c2)C(=O)OC)c(OC)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.35
BPTF Q12830 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
CSNK1D P48730 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9719963 0.88 L3MBTL1 (0.36) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9719904 0.78 MAPK1 (0.49) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9719895 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL7311711 0.69 KMT2A (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL28975450 0.69 MAPK1 (0.48) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9719908 0.66 L3MBTL1 (0.46) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9719960 0.65 L3MBTL1 (0.38) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL9979587 0.64 MAPK1 (0.46) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL24983762 0.63 L3MBTL1 (0.50) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL12499466 0.63 AKR1C3 (0.54) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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