SCHEMBL19985372

SCHEMBL19985372

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
FPR2 P25090 3/20 0.33
FFAR4 Q5NUL3 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 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
SCHEMBL19985377 0.92 FPR2 (0.33) FPR2FFAR4
SCHEMBL19985380 0.91 FFAR4 (0.34) FFAR4CYP2C9
SCHEMBL19985384 0.91 FPR2 (0.35) KDM1AFPR2FFAR4GRIN1GRIN2B
SCHEMBL19985381 0.91 FFAR4 (0.32) FPR2FFAR4
SCHEMBL18134257 0.90 S1PR1 (0.33) FPR2FFAR4ESR1CYP3A4CYP2C9
SCHEMBL19985376 0.90 S1PR1 (0.33) FPR2FFAR4ESR1CYP3A4CYP2C9
SCHEMBL19985383 0.90 SPHK1 (0.33) FPR2FFAR4
SCHEMBL19985382 0.90 SPHK1 (0.33) FPR2FFAR4
SCHEMBL19985386 0.90 SPHK1 (0.33) FPR2FFAR4
SCHEMBL19985389 0.90 SPHK1 (0.33) FPR2FFAR4

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