SCHEMBL19985408

SCHEMBL19985408

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.33
CYP2C9 P11712 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
PTPN11 Q06124 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
SCHEMBL19985407 1.00 SPHK1 (0.33) SPHK1CYP2C9PTGESALOX5FFAR4
SCHEMBL19985411 1.00 SPHK1 (0.33) SPHK1CYP2C9PTGESALOX5FFAR4
SCHEMBL19985416 1.00 SPHK1 (0.33) SPHK1CYP2C9PTGESALOX5FFAR4
SCHEMBL19985402 0.99 CYP2C9 (0.32) SPHK1CYP2C9PTGESALOX5FFAR4
SCHEMBL19985404 0.96 ALOX5 (0.34) CYP2C9PTGESALOX5FFAR4ALDH1A1
SCHEMBL19985397 0.93 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL22277514 0.92 FFAR4 (0.38) SPHK1PTGESALOX5FFAR4
SCHEMBL8935549 0.91 CNR1 (0.31) PTGESALOX5
SCHEMBL8935569 0.91 CNR1 (0.31) PTGESALOX5
SCHEMBL8935546 0.91 CNR1 (0.31) PTGESALOX5

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