SCHEMBL6452293

SCHEMBL6452293

O=CCCC1CCC2CC(c3ccc(OC(F)(F)F)c(F)c3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.36
P2RX7 Q99572 1/20 0.32
PDE2A O00408 4/20 0.32
KDM1A O60341 2/20 0.32
CHRM2 P08172 1/20 0.32
SCN9A Q15858 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
SCHEMBL6452288 1.00 EPHX2 (0.36) EPHX2P2RX7PDE2AKDM1ACHRM2
SCHEMBL6461049 0.90 EPHX2 (0.32) EPHX2P2RX7KDM1A
SCHEMBL6461046 0.90 EPHX2 (0.32) EPHX2P2RX7KDM1A
SCHEMBL6458334 0.89 EPHX2 (0.32) EPHX2PDE2AKDM1ACHRM2
SCHEMBL6458342 0.89 EPHX2 (0.32) EPHX2PDE2AKDM1ACHRM2
SCHEMBL6458327 0.89 EPHX2 (0.32) EPHX2PDE2AKDM1ACHRM2
SCHEMBL6450997 0.88 KDM1A (0.44) KDM1A
SCHEMBL6450994 0.88 KDM1A (0.44) KDM1A
SCHEMBL6460883 0.87 EPHX2 (0.36) EPHX2PDE2AKDM1A
SCHEMBL6460879 0.87 EPHX2 (0.36) EPHX2PDE2AKDM1A

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed