SCHEMBL8316219

SCHEMBL8316219

CCOc1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(OCC)c(OCC)c2)cc1OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 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
SCHEMBL8316562 0.84 KMT2A (0.62) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL8313921 0.81 KDM1A (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8317016 0.81 KDM1A (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8315784 0.81 KDM1A (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6154627 0.78 KMT2A (0.61) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL5783578 0.77 KMT2A (0.47) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL8318520 0.75 KDM4E (0.53) KMT2AMEN1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL11684516 0.74 KMT2A (0.58) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL7772808 0.74 LMNA (0.63) KMT2AMEN1SMN1; SMN2POLBMAPT
SCHEMBL17099881 0.73 KMT2A (0.52) KMT2AMEN1SMN1; SMN2POLBMAPT

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