SCHEMBL8945523

SCHEMBL8945523

CCCC1CCC(c2ccc(Cc3ccc(N)c(C)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
SKP2 Q13309 1/20 0.43
SPHK1 Q9NYA1 4/20 0.38
ESR2 Q92731 5/20 0.36
CYP3A4 P08684 2/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
ESR1 P03372 4/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 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
SCHEMBL8945496 0.92 SKP2 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945346 0.91 SKP2 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8944995 0.90 SPHK1 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945407 0.90 SPHK1 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945574 0.90 SPHK1 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945135 0.89 SKP2 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL30767894 0.86 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945024 0.86 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945296 0.86 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8945207 0.85 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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