Sugi Predict

Sugi Predict / Compounds / SCHEMBL14766529

SCHEMBL14766529

SCHEMBL14766529

C=CCCOc1ccc(C2CCC(OC(=O)c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ HCRTR2 O43614 4/20 0.31
▸ ITK Q08881 1/20 0.31
▸ BTK Q06187 2/20 0.30
▸ CYP2D6 P10635 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
SCHEMBL14766130 0.94 SCN9A (0.37) TPH1SCN9AKDM4E
SCHEMBL12737662 0.93 SCN9A (0.33) TPH1SCN9AKDM4EKDM1AITK
SCHEMBL14766151 0.92 PDE4A (0.33) TPH1KDM4EKDM1AHCRTR2BTK
SCHEMBL14766131 0.92 SCN9A (0.36) TPH1SCN9AKDM1A
SCHEMBL14766864 0.91 KDM4E (0.37) SCN9AKDM4EHCRTR2
SCHEMBL14766626 0.91 KDM4E (0.37) SCN9AKDM4EHCRTR2
SCHEMBL14766037 0.90 KDM1A (0.40) TPH1SCN9AKDM1AHCRTR2
SCHEMBL12823441 0.90 TPH1 (0.31) TPH1KDM4EBTK
SCHEMBL12737663 0.90 TPH1 (0.33) TPH1SCN9AKDM4EKDM1AITK
SCHEMBL14765683 0.89 KDM1A (0.39) TPH1SCN9AKDM1AHCRTR2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 — — US disclosed