SCHEMBL19985394

SCHEMBL19985394

C=CCCC1CCC(c2ccc(-c3ccc(OCC)c(F)c3F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.34
CYP2C9 P11712 3/20 0.33
KDM1A O60341 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
FPR2 P25090 3/20 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
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
CYP3A4 P08684 2/20 0.30
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL22277348 0.99 ESR2 (0.33) ESR2CYP2C9KDM1ADGAT1SOAT1
SCHEMBL22277452 0.95 FFAR4 (0.37) ESR2CYP2C9KDM1ADGAT1SOAT1
SCHEMBL22277364 0.95 ESR2 (0.31) ESR2CYP2C9KDM1ADGAT1SOAT1
SCHEMBL22277362 0.93 GPR119 (0.33) ESR2
SCHEMBL8933815 0.93 KDM1A (0.37) CYP2C9KDM1AFPR2GRIN1GRIN2B
SCHEMBL19985396 0.93 GABRA1 (0.38) ESR2CYP2C9DGAT1SOAT1FPR2
SCHEMBL17522404 0.92 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL19985400 0.92 CNR2 (0.35) ESR2CYP2C9DGAT1SOAT1ALDH1A1
SCHEMBL22277562 0.91 FFAR4 (0.38) ESR2DGAT1ALDH1A1MAPTFFAR4
SCHEMBL19985419 0.91 GABRA1 (0.35) ESR2CYP2C9DGAT1SOAT1FPR2

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