SCHEMBL19999533

SCHEMBL19999533

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C#Cc5cc(F)c(C)cc5C)cc4)cc3F)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.33
AR P10275 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
GRM5 P41594 2/20 0.32
KCNH2 Q12809 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KDM1A O60341 1/20 0.31
KIF11 P52732 1/20 0.31
PTGS2 P35354 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
SCHEMBL20004846 0.87 FFAR1 (0.40) FFAR1GRM5KCNH2CA12CA2
SCHEMBL20006719 0.81 PDE3B (0.33) FFAR1PDE3BPDE3AGRM5CA12
SCHEMBL20006703 0.81 PDE3B (0.33) FFAR1PDE3BPDE3AGRM5CA12
SCHEMBL20004874 0.80 RARB (0.36) AAK1KDM1A
SCHEMBL20004879 0.80 FFAR1 (0.34) FFAR1ARAAK1KCNH2CA12
SCHEMBL19258829 0.80 CYP11B1 (0.33) FFAR1ARAAK1PDE3BPDE3A
SCHEMBL20005287 0.79 ESR1 (0.38) FFAR1AAK1PDE3BPDE3AGRM5
SCHEMBL12011040 0.79 CYP11B1 (0.43) FFAR1ARAAK1GRM5KCNH2
SCHEMBL20004870 0.78 FFAR1 (0.45) FFAR1
SCHEMBL20005231 0.77 FFAR1 (0.34) FFAR1PDE3BPDE3AKDM1A

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-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed