SCHEMBL8316562

SCHEMBL8316562

CCOc1ccc(CN[C@H]2CC[C@H](NCc3ccc(OCC)c(OCC)c3)CC2)cc1OCC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.62
MEN1 O00255 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
OPRK1 P41145 1/20 0.48
MITF O75030 1/20 0.47
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
F7 P08709 1/20 0.47
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
NPBWR1 P48145 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
SCHEMBL17099881 0.87 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL6154627 0.87 KMT2A (0.61) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL8316219 0.84 KMT2A (0.60) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL3931762 0.83 KMT2A (0.52) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL8313501 0.81 BCHE (0.56) KMT2AMEN1SMN1; SMN2
SCHEMBL696157 0.80 MEN1 (0.64) KMT2AMEN1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11684516 0.80 KMT2A (0.58) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL5555379 0.78 HRH3 (0.51) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL3936711 0.78 KMT2A (0.54) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL13448589 0.78 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787716-B1 Isoprene derivatives NISSHIN FLOUR MILLING CO (JP) 1999-12-08 EP disclosed
US-5756475-A POLYISOPRENE MODIFIED WITH AMINE WITH ANTICANCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-05-26 US disclosed
EP-0787716-A1 Isoprene derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-08-06 EP disclosed