SCHEMBL8750449

SCHEMBL8750449

Cc1ccc(C(C)CCCOCCCC(C)c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GRIA4 P48058 1/20 0.37
KCNH2 Q12809 1/20 0.36
CHRNA7 P36544 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
RIPK1 Q13546 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
SCHEMBL8750512 0.94 ACHE (0.41) ACHEMEN1KMT2ATDP1STAT3
SCHEMBL14274070 0.85 ACHE (0.48) ACHETDP1STAT3GRIA4CHRNA7
SCHEMBL8750460 0.82 RIPK1 (0.52) ALDH1A1HPGDRIPK1
SCHEMBL28346215 0.79 ACHE (0.48) ACHEMEN1KMT2ATDP1STAT3
SCHEMBL6683706 0.79 HRH3 (0.46) ACHETDP1STAT3GRIA4CHRNA7
SCHEMBL18942723 0.78 ACHE (0.41) ACHEMEN1KMT2ATDP1STAT3
SCHEMBL14565678 0.78 ACHE (0.43) ACHEMEN1KMT2ASTAT3ALDH1A1
SCHEMBL28142953 0.78 ACHE (0.47) ACHESTAT3GRIA4CHRNA7ALOX5
SCHEMBL6683685 0.78 ACHE (0.43) ACHESTAT3GRIA4CHRNA7ALOX5
SCHEMBL28142955 0.78 ACHE (0.47) ACHESTAT3GRIA4CHRNA7ALOX5

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