SCHEMBL8945496

SCHEMBL8945496

CCCCC1CCC(c2ccc(Cc3ccc(N)c(C)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.48
SPHK1 Q9NYA1 11/20 0.42
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SPHK2 Q9NRA0 7/20 0.35
ESR2 Q92731 2/20 0.35

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
SCHEMBL8945346 0.96 SKP2 (0.47) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL8944995 0.95 SPHK1 (0.46) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL8945574 0.95 SPHK1 (0.46) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL8945407 0.95 SPHK1 (0.46) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL8945523 0.92 CYP2C9 (0.49) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL8945135 0.87 SKP2 (0.42) SKP2SPHK1CYP2C9ALDH1A1LMNA
SCHEMBL7752381 0.84 SPHK1 (0.48) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10045595 0.83 SPHK1 (0.45) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945151 0.81 ESR2 (0.44) SKP2SPHK1ALDH1A1MAPTMEN1
SCHEMBL9122568 0.81 SKP2 (0.46) SKP2ALDH1A1

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