SCHEMBL9440799

SCHEMBL9440799

CCCCOc1ccccc1OCC[O]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 6/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LTA4H P09960 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
CYP19A1 P11511 1/20 0.46

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
1,2-Dibutoxybenzene SCHEMBL1226749 0.89 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9MAPTKMT2A
1,2-Dibutoxybenzene SCHEMBL29428927 0.89 CYP1A2 (0.72) CYP1A2CYP2C19CYP2C9MAPTKMT2A
1,2-Dibutoxybenzene SCHEMBL6236324 0.87 CYP1A2 (0.69) CYP1A2CYP2C19CYP2C9MAPTKMT2A
1-Propoxy-2-Butoxybenzene SCHEMBL2846696 0.85 CYP1A2 (0.67) CYP1A2CYP2C19CYP2C9MAPTKMT2A
1-Ethoxy-2-Butoxybenzene SCHEMBL3460023 0.83 L3MBTL1 (0.66) CYP1A2CYP2C19CYP2C9MAPTKMT2A
SCHEMBL28357821 0.83 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9MAPTKMT2A
SCHEMBL10730442 0.83 CYP1A2 (0.64) CYP1A2CYP2C19CYP2C9MAPTKMT2A
SCHEMBL6651604 0.82 CYP1A2 (0.63) CYP1A2CYP2C19CYP2C9MAPTKMT2A
SCHEMBL30096940 0.82 CYP1A2 (0.63) CYP1A2CYP2C19CYP2C9MAPTKMT2A
SCHEMBL7198896 0.82 THRB (0.51) CYP1A2CYP2C19CYP2C9MAPTKMT2A

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
EP-0295716-B1 Process for the formation of color image and band stop filter used therefor FUJI PHOTO FILM CO LTD (JP) 1994-12-07 EP disclosed
EP-0295716-A2 Process for the formation of color image and band stop filter used therefor FUJI PHOTO FILM CO., LTD. (JP) 1988-12-21 EP disclosed