SCHEMBL11035646

SCHEMBL11035646

O=C1OC(=Cc2ccccc2)C2=C1C=CCC2=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
NTSR1 P30989 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 3/20 0.41
F3 P13726 1/20 0.39
STK17B O94768 1/20 0.39
MAOB P27338 3/20 0.36
PNLIP P16233 1/20 0.36
MIF P14174 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL9564397 0.75 ALDH1A1 (0.72) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL3763259 0.75 CYP1A2 (0.42) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL11263071 0.69 CYP1A2 (0.39) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL5433929 0.63 KDM4E (1.00) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL214424 0.63 KDM4E (1.00) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL214423 0.63 KDM4E (1.00) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL29637244 0.63 KDM4E (1.00) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL30913040 0.63 CYP1A2 (0.41) ALDH1A1HPGDMEN1MAPTKMT2A
SCHEMBL3033666 0.63 HPGD (0.41) ALDH1A1HPGDKDM4EL3MBTL1TDP1
SCHEMBL10384913 0.62 KDM4E (0.75) ALDH1A1HPGDKDM4EL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59027920-A None JP disclosed
JP-S5927920-A POLYPHTHALIMIDINE RESIN AND ITS PRODUCTION NITTO ELECTRIC IND CO LTD 1984-02-14 JP disclosed