SCHEMBL8750512

SCHEMBL8750512

Cc1ccc(C(C)CCCCOCCCCC(C)c2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GRIA4 P48058 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33

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
SCHEMBL8750449 0.94 ACHE (0.42) ACHESTAT3ALDH1A1GRIA4KCNH2
SCHEMBL14274070 0.83 ACHE (0.48) ACHESTAT3GRIA4TDP1ALOX5
SCHEMBL8750373 0.82 RIPK1 (0.50) ALDH1A1HPGD
SCHEMBL6683685 0.80 ACHE (0.43) ACHESTAT3GRIA4ALOX5CHRNA7
SCHEMBL10711259 0.78 HTT (0.42) ACHESTAT3GRIA4KCNH2MEN1
SCHEMBL11516610 0.78 HTT (0.42) ACHESTAT3GRIA4KCNH2MEN1
SCHEMBL13211589 0.78 ACHE (0.46) ACHESTAT3GRIA4MEN1KMT2A
SCHEMBL6679845 0.78 HTT (0.42) ACHESTAT3GRIA4KCNH2MEN1
SCHEMBL4406070 0.78 HTT (0.42) ACHESTAT3GRIA4KCNH2MEN1
SCHEMBL8750490 0.78 NR1I2 (0.43) ALDH1A1KCNH2MEN1KMT2ACHRNA7

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-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed