SCHEMBL8766538

SCHEMBL8766538

CCCc1ccccc1C1(c2ccccc2CCC)CCC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.35
ACAT2 Q9BWD1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC4 P56524 1/20 0.33
PDE7A Q13946 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8766761 0.87 KDM4E (0.37) ALDH1A1HDAC4
SCHEMBL8767265 0.86 HDAC4 (0.44) ACHEACAT2HDAC4PDE7ACYP2C9
SCHEMBL8767206 0.84 HRH3 (0.35) ALDH1A1HDAC4CYP2C9
Diethylamine SCHEMBL10779794 0.83 HDAC4 (0.42) ACHEACAT2HDAC4PDE7ACYP2C9
SCHEMBL8766372 0.81 HRH3 (0.38) ACHECYP2C9CYP2C19
SCHEMBL8765841 0.81 HDAC4 (0.41) HDAC4
SCHEMBL8766367 0.80 BCHE (0.35) CYP2C9CYP2C19
SCHEMBL8766414 0.79 LIPG (0.36) CYP2C9CYP2C19
SCHEMBL8766504 0.79 LIPG (0.36) CYP2C9CYP2C19
SCHEMBL8766507 0.79 LIPG (0.36) CYP2C9CYP2C19

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-0601813-B1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5501884-A Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1996-03-26 US disclosed
US-5382688-A Diamino compounds and their production method CHISSO CORPORATION (JP) 1995-01-17 US disclosed
EP-0601813-A1 Diamino compounds and their production method and liquid crystal alignment layers using the compounds CHISSO CORPORATION (JP) 1994-06-15 EP disclosed