SCHEMBL19985604

SCHEMBL19985604

C/C=C\Oc1ccc(-c2ccc(C3CCC(CCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15723077 1.00 MEN1 (0.31) MEN1GAAMAPK1KMT2ANPC1
SCHEMBL15723088 0.97 GAA (0.33) MEN1GAAKMT2AMAPT
SCHEMBL19985602 0.97 GAA (0.33) MEN1GAAKMT2AMAPT
SCHEMBL19985621 0.96 GAA (0.35) GAAMAPT
SCHEMBL19985617 0.96 GAA (0.35) GAAMAPT
SCHEMBL19985613 0.96 GAA (0.35) GAAMAPT
SCHEMBL15722922 0.95 CYP1A2 (0.31) MEN1GAAMAPK1KMT2ANPC1
SCHEMBL15723075 0.93 CYP2C9 (0.32) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL19985596 0.93 CYP2C9 (0.32) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL19985283 0.92

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