SCHEMBL8750447

SCHEMBL8750447

CCC(OC(CC)C(C)c1ccc(C)cc1)C(C)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.40
STAT3 P40763 1/20 0.36
ACHE P22303 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GRIA4 P48058 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 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
SCHEMBL8750508 0.84 CA12 (0.38) CHRNA7STAT3ACHEALDH1A1LMNA
SCHEMBL8750464 0.81 LMNA (0.45) LMNAMEN1KMT2A
SCHEMBL6546299 0.74 ACHE (0.53) CHRNA7STAT3ACHEALDH1A1LMNA
SCHEMBL8750424 0.73 POLB (0.33) ALDH1A1LMNATDP1MEN1CYP2C9
SCHEMBL9368549 0.72 MAOA (0.39) CHRNA7STAT3ACHEALDH1A1LMNA
SCHEMBL8750631 0.71 CHRNA7 (0.44) CHRNA7ACHEALDH1A1LMNASMN1; SMN2
SCHEMBL8750611 0.71 CHRNA7 (0.40) CHRNA7STAT3ACHEALDH1A1LMNA
SCHEMBL8750487 0.71 ESR1 (0.39) CHRNA7STAT3ALDH1A1LMNASMN1; SMN2
P-Xylene SCHEMBL8750425 0.70 ACHE (0.42) CHRNA7ACHEALDH1A1TDP1MAOA
SCHEMBL190310 0.70 ACHE (0.50) CHRNA7STAT3ACHEALDH1A1TDP1

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