SCHEMBL9719963

SCHEMBL9719963

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
BPTF Q12830 1/20 0.36
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 5/20 0.33
STING1 Q86WV6 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FKBP1A P62942 2/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HPGD P15428 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
SCHEMBL9719899 0.88 ALDH1A1 (0.36) L3MBTL1BPTFMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9719908 0.77 L3MBTL1 (0.46) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL9719960 0.75 L3MBTL1 (0.38) L3MBTL1BPTFMAPK1ALDH1A1SMN1; SMN2
SCHEMBL500044 0.72 AKR1C3 (0.54) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL12499466 0.72 AKR1C3 (0.54) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL7166547 0.72 AKR1C3 (0.54) L3MBTL1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL7317653 0.70 POLB (0.45) L3MBTL1MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9719058 0.70 ALDH1A1 (0.43) L3MBTL1MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9719067 0.69 SMN1; SMN2 (0.39) L3MBTL1MAPK1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9719895 0.65 ALDH1A1 (0.38) L3MBTL1BPTFMAPK1ALDH1A1SMN1; SMN2

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