SCHEMBL19985592

SCHEMBL19985592

C=COc1ccc(-c2ccc(C3CCC(CCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRL1 P41146 2/20 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
SCHEMBL10017841 0.95 CYP2C9 (0.35) CYP2C9ALDH1A1MAPTHTTLMNA
SCHEMBL19985599 0.93 GAA (0.32) CYP2C9MAPTMEN1MAPK1KMT2A
SCHEMBL19985607 0.92 GAA (0.34) MAPTMEN1KMT2A
SCHEMBL19985270 0.92 CYP2C9 (0.33) CYP2C9ALDH1A1MAPTHTTLMNA
SCHEMBL19985619 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL19985609 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL19985624 0.91 GAA (0.35) MAPTMEN1KMT2A
SCHEMBL19985584 0.90 FPR2 (0.30)
SCHEMBL19985596 0.87 CYP2C9 (0.32) CYP2C9ALDH1A1MAPTHTTLMNA
SCHEMBL15723075 0.87 CYP2C9 (0.32) CYP2C9ALDH1A1MAPTHTTLMNA

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