SCHEMBL8945040

SCHEMBL8945040

CCCCC1CCC(c2ccc(Cc3ccc(N)cc3)c(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.38
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 1/20 0.33
SPHK2 Q9NRA0 3/20 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
SCHEMBL8945152 0.96 SPHK1 (0.40) SPHK1CYP2C9KMT2AALDH1A1LMNA
SCHEMBL8945253 0.95 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945348 0.95 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945340 0.95 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945075 0.93 CYP2C9 (0.44) SPHK1CYP2C9KMT2AALDH1A1LMNA
SCHEMBL8945230 0.88 ALDH1A1 (0.33) SPHK1CYP2C9KMT2AALDH1A1LMNA
SCHEMBL7752381 0.85 SPHK1 (0.48) SPHK1CYP2C9KMT2AALDH1A1LMNA
SCHEMBL8945272 0.82 ESR2 (0.38) SPHK1ALDH1A1
SCHEMBL8945557 0.81 HTR1D (0.39) ALDH1A1
SCHEMBL8164282 0.81 SPHK1 (0.50) SPHK1CYP2C9KMT2AALDH1A1LMNA

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