SCHEMBL20548356

SCHEMBL20548356

CCN(CC)CCO[Ti](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.33
LTA4H P09960 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
BIRC5 O15392 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CHRNA7 P36544 1/20 0.32
MAOA P21397 1/20 0.32
HTR3A P46098 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL135077 0.73 MEN1 (0.61) KMT2AMEN1POLBEBPSIGMAR1
Hydrochloric Acid SCHEMBL11278283 0.71 MEN1 (0.58) KMT2AMEN1POLBEBPSIGMAR1
SCHEMBL12918863 0.71 MEN1 (0.58) KMT2AMEN1POLBEBPSIGMAR1
SCHEMBL1408760 0.71
SCHEMBL9705183 0.71 MEN1 (0.58) KMT2AMEN1POLBEBPSIGMAR1
SCHEMBL842441 0.71 CHRM2 (0.39) CYP2D6CYP1A2LTA4HHTTKDM4E
SCHEMBL24315293 0.69
SCHEMBL1509476 0.69
SCHEMBL16668254 0.69
SCHEMBL3074725 0.69

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-2754638-B1 FILM-FORMING MATERIAL, GROUP IV METAL OXIDE FILM AND VINYLENE DIAMIDE COMPLEX TOSOH CORP (JP) 2018-11-07 EP disclosed