SCHEMBL8766504

SCHEMBL8766504

CCCCCCCCC1CCC(c2ccccc2CCC)(c2ccccc2CCC)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.36
BCHE P06276 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 2/20 0.34
S1PR3 Q99500 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL8766414 1.00 LIPG (0.36) LIPGBCHECYP3A4CYP2C8S1PR3
SCHEMBL8766507 1.00 LIPG (0.36) LIPGBCHECYP3A4CYP2C8S1PR3
SCHEMBL8766367 0.99 BCHE (0.35) LIPGBCHECYP3A4CYP2C8S1PR3
SCHEMBL8766372 0.94 HRH3 (0.38) LIPGBCHECYP2D6CYP2C9CYP2C19
SCHEMBL8766390 0.90 HDAC4 (0.38) LIPGCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL8767261 0.90 HDAC4 (0.38) LIPGCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL8766110 0.90 HDAC4 (0.38) LIPGCYP3A4CYP2C8S1PR3CYP2D6
SCHEMBL8766477 0.89 HDAC4 (0.38) BCHECYP2D6HRH3CYSLTR2CYSLTR1
SCHEMBL8767206 0.88 HRH3 (0.35) BCHECYP2C9HRH3
SCHEMBL8766761 0.85 KDM4E (0.37)

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