SCHEMBL19985600

SCHEMBL19985600

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR1A P08908 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL19985608 0.97 GAA (0.32) MEN1GAAMAPK1KMT2ANPC1
SCHEMBL19985623 0.96 GAA (0.34) GAAMAPTHTR1A
SCHEMBL19985614 0.96 GAA (0.34) GAAMAPTHTR1A
SCHEMBL19985618 0.96 GAA (0.34) GAAMAPTHTR1A
SCHEMBL8935810 0.95 ALOX5AP (0.30)
SCHEMBL19985597 0.95 HTR1A (0.32) MEN1MAPK1KMT2AMAPTCYP2C9
SCHEMBL19985284 0.93 MEN1 (0.31) MEN1GAAMAPK1KMT2ANPC1
SCHEMBL8963319 0.92
SCHEMBL19985289 0.89 GAA (0.31) GAAMAPT
SCHEMBL19985590 0.89 HTR1A (0.31) HTR1ACTSLCTSSCTSK

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