SCHEMBL19985597

SCHEMBL19985597

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 1/20 0.31
HTT P42858 1/20 0.31
FPR2 P25090 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL19985600 0.95 MEN1 (0.32) HTR1ACTSLCTSSCTSKMAPT
SCHEMBL19985608 0.94 GAA (0.32) HTR1ACTSLCTSSCTSKMAPT
SCHEMBL19985614 0.93 GAA (0.34) HTR1AMAPT
SCHEMBL19985618 0.93 GAA (0.34) HTR1AMAPT
SCHEMBL19985623 0.93 GAA (0.34) HTR1AMAPT
SCHEMBL19985271 0.92 CYP2C9 (0.32) HTR1AALDH1A1MAPTCYP2C9HTT
SCHEMBL19985590 0.92 HTR1A (0.31) HTR1ACTSLCTSSCTSKFPR2
SCHEMBL8935810 0.90 ALOX5AP (0.30)
SCHEMBL19985593 0.89 HTR2C (0.38) HTR1ACTSLCTSSCTSKALDH1A1
SCHEMBL11917052 0.88 FPR2 (0.35) ALDH1A1MAPTCYP2C9HTTFPR2

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