SCHEMBL19985633

SCHEMBL19985633

Cc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
GRM1 Q13255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NTRK1 P04629 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CPS1 P31327 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
RIPK1 Q13546 2/20 0.32

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
SCHEMBL12205092 0.94 HPGD (0.46) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL14866526 0.90 HPGD (0.43) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL18503387 0.83 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2KDM1ACNR1
SCHEMBL15445706 0.81 HPGD (0.37) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL15445707 0.81 TAS1R3 (0.36) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL18503389 0.81 NPC1 (0.44) HPGDGRM1KDM1ANPC1RAB9A
SCHEMBL15445704 0.79 HPGD (0.35) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL15445703 0.79 TAS1R3 (0.37) HPGDHTTTAS1R3TAS1R1TAS1R2
SCHEMBL15445737 0.78 HPGD (0.36) HPGDHTTL3MBTL1
SCHEMBL15445999 0.78 HPGD (0.36) HPGDHTTTAS1R3TAS1R1TAS1R2

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 1 patent. 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