SCHEMBL6461049

SCHEMBL6461049

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.32
KDM1A O60341 2/20 0.31
CTSK P43235 1/20 0.31
NAAA Q02083 1/20 0.31
P2RX7 Q99572 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
SCHEMBL6461046 1.00 EPHX2 (0.32) EPHX2KDM1ACTSKNAAAP2RX7
SCHEMBL5683741 0.95 EPHX2 (0.30) EPHX2
SCHEMBL5683734 0.95 EPHX2 (0.30) EPHX2
SCHEMBL6452293 0.90 EPHX2 (0.36) EPHX2KDM1AP2RX7
SCHEMBL6452288 0.90 EPHX2 (0.36) EPHX2KDM1AP2RX7
SCHEMBL6464226 0.88 KDM1A (0.43) KDM1A
SCHEMBL6464221 0.88 KDM1A (0.43) KDM1A
SCHEMBL6458342 0.88 EPHX2 (0.32) EPHX2KDM1A
SCHEMBL6458334 0.88 EPHX2 (0.32) EPHX2KDM1A
SCHEMBL6458327 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