SCHEMBL8750377

SCHEMBL8750377

Cc1ccc(C(C)CCC(C)OC(C)CCC(C)c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18653134 0.88 LMNA (0.41) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL18653239 0.82 LMNA (0.38) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL18653238 0.76 LMNA (0.35) LMNATRPA1PTGS1CACNA1CTP53
SCHEMBL29503546 0.74 ALDH1A1 (0.50) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL11057467 0.74 ALDH1A1 (0.50) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL20939899 0.72 TAAR1 (0.50) LMNATRPA1PTGS1CACNA1CTP53
SCHEMBL17086648 0.72 ABCB11 (0.50) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL8750574 0.71 LMNA (0.41) LMNATRPA1PTGS1CACNA1CTDP1
SCHEMBL9070269 0.70 SMN1; SMN2 (0.37) LMNATRPA1PTGS1CACNA1CBCHE
SCHEMBL23891676 0.70 TRPA1 (0.34) LMNATRPA1PTGS1CACNA1CTP53

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