SCHEMBL19985404

SCHEMBL19985404

C/C=C/CCC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
PTGES O14684 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
CYP2C9 P11712 2/20 0.32
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ESR2 Q92731 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL19985402 0.97 CYP2C9 (0.32) ALOX5PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL19985411 0.96 SPHK1 (0.33) ALOX5PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL19985407 0.96 SPHK1 (0.33) ALOX5PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL19985408 0.96 SPHK1 (0.33) ALOX5PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL19985416 0.96 SPHK1 (0.33) ALOX5PTGESFFAR4CYP2C9ALDH1A1
SCHEMBL22277514 0.95 FFAR4 (0.38) ALOX5PTGESFFAR4
SCHEMBL19985397 0.95 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985395 0.92 ESR2 (0.33) FFAR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8935532 0.91 PTGES (0.33) ALOX5PTGES
SCHEMBL8959461 0.91 PTGES (0.32) ALOX5PTGESFFAR4CYP2C9PDE4A

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed