SCHEMBL7592197

SCHEMBL7592197

[CH2]CCCC=Nc1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 2/20 0.36
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36

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
SCHEMBL7591578 0.82 MAPT (0.45) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL11766616 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL16620189 0.80 MAPT (0.41) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL16620191 0.80 MAPT (0.41) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL6305009 0.78 KMT2A (0.34) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL18394936 0.77 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL18394935 0.77 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL6301891 0.73 KMT2A (0.33) ALDH1A1KDM4EKMT2AL3MBTL1CYP2C9
SCHEMBL9094641 0.70 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDHTR3E
SCHEMBL7089183 0.70 HTR3E (0.43) ALDH1A1MAPTKDM4EHPGDHTR3E

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-0844269-B1 BLOCK COPOLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS KATAOKA KAZUNORI (JP) 2002-10-23 EP disclosed
US-5929177-A LIVING POLYMER WITH HYDROPHILIC, HYDROPHOBIC SEGMENTS Kataoka, Kazunori (JP) 1999-07-27 US disclosed
EP-0844269-A1 BLOCK POLYMER HAVING FUNCTIONAL GROUPS AT BOTH ENDS Kataoka, Kazunori (JP) 1998-05-27 EP disclosed