SCHEMBL8550168

SCHEMBL8550168

COc1cc(C(=O)CC(N)CCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
G6PD P11413 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
METAP2 P50579 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.45
LPAR1 Q92633 1/20 0.45

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
Hydrochloric Acid SCHEMBL8546948 0.99 KMT2A (0.53) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL8549831 0.93 LMNA (0.53) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8548333 0.92 LMNA (0.52) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL8544987 0.78 ALDH1A1 (0.49) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL709246 0.78 TDP1 (0.60) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL7823257 0.77 ALDH1A1 (0.61) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL969334 0.76 TDP1 (0.59) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL8545646 0.76 CYP19A1 (0.50) KMT2AL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL708387 0.75 LMNA (0.58) KMT2AL3MBTL1LMNAHTTSMN1; SMN2
SCHEMBL8546912 0.75 MEN1 (0.57) KMT2ALMNASMN1; SMN2ALDH1A1POLB

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-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP claimed