SCHEMBL19985598

SCHEMBL19985598

CC/C=C\Cc1ccc(-c2ccc(C3CCC(CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRL1 P41146 3/20 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
SCHEMBL19985606 0.93 GAA (0.32) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL19985611 0.92 GAA (0.34) MAPTMEN1KMT2A
SCHEMBL19985281 0.92 CYP2C9 (0.33) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL19985594 0.91
SCHEMBL19985628 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL19985616 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL19985627 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL8935710 0.87 GAA (0.32) MAPT
SCHEMBL19985587 0.86
SCHEMBL19986387 0.85 FEN1 (0.33)

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