SCHEMBL19985397

SCHEMBL19985397

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
FPR2 P25090 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR2 Q92731 1/20 0.32
DGAT1 O75907 2/20 0.31
SOAT1 P35610 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
SCHEMBL19985404 0.95 ALOX5 (0.34) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985402 0.94 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985416 0.93 SPHK1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985411 0.93 SPHK1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985408 0.93 SPHK1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985407 0.93 SPHK1 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985395 0.93 ESR2 (0.33) CYP2C9FPR2ALDH1A1LMNAMAPT
SCHEMBL22277190 0.92 ESR2 (0.33) CYP2C9FPR2ALDH1A1LMNAMAPT
SCHEMBL8935482 0.91 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8959446 0.91 FPR2 (0.33) CYP2C9FPR2GABRA1GABRB2

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