SCHEMBL8945152

SCHEMBL8945152

CCCCCC1CCC(c2ccc(Cc3ccc(N)cc3)c(C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 10/20 0.40
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SPHK2 Q9NRA0 6/20 0.33
GRM2 Q14416 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 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
SCHEMBL8945340 0.99 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945348 0.99 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945253 0.99 SPHK1 (0.41) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945040 0.96 SPHK1 (0.38) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945075 0.92 CYP2C9 (0.44) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8945230 0.87 ALDH1A1 (0.33) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8164282 0.85 SPHK1 (0.50) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7752525 0.84 SPHK1 (0.52) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7752570 0.84 SPHK1 (0.52) SPHK1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL7928056 0.84 SPHK1 (0.52) SPHK1CYP2C9ALDH1A1LMNAMAPT

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