SCHEMBL7734296

SCHEMBL7734296

CCC[C@H]1CC[C@H](CCc2ccc(C(F)(F)Oc3ccc([C@H]4CC[C@H](CCC)CC4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SPHK1 Q9NYA1 9/20 0.39
MAOB P27338 2/20 0.35
SPHK2 Q9NRA0 5/20 0.34

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
SCHEMBL7734298 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7736228 0.94 SPHK1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7736224 0.94 SPHK1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL5069037 0.92 SPHK1 (0.50) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL5068484 0.92 SPHK1 (0.50) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729160 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729163 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7731729 0.89 MAOB (0.45) MEN1KMT2AMAOB
SCHEMBL7731655 0.89 GCGR (0.41) ALDH1A1MAOB
SCHEMBL7731651 0.89 GCGR (0.41) ALDH1A1MAOB

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-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
US-6190576-B1 MIXTURES CHISSO CORPORATION (JP) 2001-02-20 US disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
EP-0916639-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORPORATION (JP) 1999-05-19 EP disclosed