SCHEMBL19985434

SCHEMBL19985434

CC/C=C\Cc1ccc(-c2ccc(C3CCC(CCCC)CC3)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ESR2 Q92731 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
GAA P10253 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
SCHEMBL19985447 0.96 MAPT (0.34) CYP2C9ESR2MEN1MAPK1KMT2A
SCHEMBL19985453 0.96 MAPT (0.34) CYP2C9ESR2MEN1MAPK1KMT2A
SCHEMBL19985428 0.93 CYP2C9 (0.41) CYP2C9ESR2MEN1MAPK1KMT2A
SCHEMBL8933753 0.90 CYP3A4 (0.33) CYP2C9MAPTGAA
SCHEMBL19985423 0.90 ESR2 (0.33) CYP2C9ESR2ALDH1A1DGAT1SOAT1
SCHEMBL8960001 0.88 CYP3A4 (0.32) CYP2C9
SCHEMBL8935710 0.87 GAA (0.32) MAPTGAA
SCHEMBL22881580 0.86 CYP2C9 (0.41) CYP2C9ESR2MEN1MAPK1KMT2A
SCHEMBL8963291 0.85 GAA (0.31) MAPTGAA
SCHEMBL19985606 0.84 GAA (0.32) CYP2C9MEN1MAPK1KMT2AMAPT

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