SCHEMBL19985385

SCHEMBL19985385

CC/C=C\CC1CCC(c2ccc(-c3ccc(OCCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
FPR2 P25090 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
SCHEMBL19985399 0.97 SPHK1 (0.31) FPR2
SCHEMBL19985393 0.96 SPHK1 (0.33) FPR2
SCHEMBL19985405 0.96 SPHK1 (0.33) FPR2
SCHEMBL19985391 0.96 SPHK1 (0.33) FPR2
SCHEMBL19985392 0.96 SPHK1 (0.33) FPR2
SCHEMBL19985390 0.95 FPR2 (0.34) FPR2
SCHEMBL19985380 0.92 FFAR4 (0.34) RAB9AFFAR4CYP2C9HRH3PDE4A
SCHEMBL19985384 0.91 FPR2 (0.35) FFAR4CYP2C9FPR2
SCHEMBL19985321 0.89 RAB9A (0.36) RAB9AFFAR4CYP2C9HRH3PDE4A
SCHEMBL19985381 0.89 FFAR4 (0.32) FFAR4FPR2

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