SCHEMBL8045787

SCHEMBL8045787

CCCC1CCC(c2ccc(C(=O)O)c(F)c2-c2ccc(C#N)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP11B2 P19099 4/20 0.34
CYP11B1 P15538 2/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDE9A O76083 1/20 0.33
NOTUM Q6P988 1/20 0.33
PTGER4 P35408 1/20 0.33
FASN P49327 1/20 0.33
RXRA P19793 1/20 0.33
CHRM4 P08173 1/20 0.33
AR P10275 1/20 0.33
GLP1R P43220 1/20 0.33
LTB4R2 Q9NPC1 1/20 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
SCHEMBL7518239 0.92 NOTUM (0.38) GRIA2GRIA4CYP2C9HSD11B1ALDH1A1
SCHEMBL7507636 0.86 NOTUM (0.36) GRIA2GRIA4HSD11B1CYP11B2CYP11B1
SCHEMBL7514451 0.85 NOTUM (0.36) GRIA2GRIA4HSD11B1CYP11B2CYP11B1
SCHEMBL7516185 0.83 NOTUM (0.39) GRIA2GRIA4HSD11B1CYP11B2CYP11B1
SCHEMBL7735684 0.83 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTNOTUM
SCHEMBL7735680 0.83 CYP2C9 (0.38) CYP2C9ALDH1A1LMNAMAPTNOTUM
SCHEMBL8047119 0.80 RARA (0.36) GRIA2GRIA4CYP11B2CYP11B1NOTUM
SCHEMBL7737188 0.80 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTNOTUM
SCHEMBL7737191 0.80 CYP2C9 (0.36) CYP2C9ALDH1A1LMNAMAPTNOTUM
SCHEMBL8046378 0.80 NOTUM (0.36) GRIA2GRIA4CYP11B2CYP11B1XDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed