SCHEMBL6949511

SCHEMBL6949511

CCCN(CCC)c1ccc(C2(C=C(c3c(-c4ccccc4)n(CC)c4ccccc34)c3c(-c4ccccc4)n(CC)c4ccccc34)OC(=O)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RCE1 Q9Y256 1/20 0.34
CLK1 P49759 1/20 0.34
CNR2 P34972 2/20 0.33
PADI4 Q9UM07 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6951514 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL6949531 0.91 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416204 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416207 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416206 0.90 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416216 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL7481937 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416219 0.84 CNR2 (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7484256 0.83 CNR2 (0.40) ALDH1A1KDM4EPOLBHPGDMEN1
SCHEMBL9416213 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581589-B1 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS INC (JP) 2003-03-26 EP claimed
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP claimed
EP-0581589-B1 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS INC (JP) 2003-03-26 EP disclosed
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP disclosed