SCHEMBL13636632

SCHEMBL13636632

C#Cc1c(F)cc(OC(F)(F)c2ccc(C3CCC(CCC)CC3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR2 Q92731 1/20 0.31

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
SCHEMBL7734960 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7734965 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729301 0.88 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7729296 0.88 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL12977294 0.87 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7730311 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7730309 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7730315 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733221 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL7733214 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCYP2C9MEN1

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
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed