SCHEMBL6458327

SCHEMBL6458327

CC=CCC[C@@H]1CC[C@@H]2CC(c3ccc(OC(F)(F)F)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.32
KDM1A O60341 4/20 0.32
PDE2A O00408 4/20 0.30
CHRM2 P08172 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
SCHEMBL6458342 1.00 EPHX2 (0.32) EPHX2KDM1APDE2ACHRM2
SCHEMBL6458334 1.00 EPHX2 (0.32) EPHX2KDM1APDE2ACHRM2
SCHEMBL5683683 0.95 EPHX2 (0.31) EPHX2KDM1A
SCHEMBL5683679 0.95 EPHX2 (0.31) EPHX2KDM1A
SCHEMBL6459984 0.89 KDM1A (0.42) KDM1A
SCHEMBL6459981 0.89 KDM1A (0.42) KDM1A
SCHEMBL6459978 0.89 KDM1A (0.42) KDM1A
SCHEMBL6452288 0.89 EPHX2 (0.36) EPHX2KDM1APDE2ACHRM2
SCHEMBL6452293 0.89 EPHX2 (0.36) EPHX2KDM1APDE2ACHRM2
SCHEMBL6461049 0.88 EPHX2 (0.32) EPHX2KDM1A

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