SCHEMBL8835452

SCHEMBL8835452

CC/C=C/C=C/C1CCC(c2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.34
PDE2A O00408 6/20 0.34
KDM1A O60341 2/20 0.33
CTSK P43235 1/20 0.32
NAAA Q02083 1/20 0.32
P2RX7 Q99572 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL8835457 1.00 EPHX2 (0.34) EPHX2PDE2AKDM1ACTSKNAAA
SCHEMBL8835324 0.87 PDE2A (0.34) EPHX2PDE2AKDM1AP2RX7HCRTR1
SCHEMBL8835318 0.87 PDE2A (0.34) EPHX2PDE2AKDM1AP2RX7HCRTR1
SCHEMBL8835502 0.85 PDE2A (0.33) EPHX2PDE2AKDM1AP2RX7
SCHEMBL8835498 0.85 PDE2A (0.33) EPHX2PDE2AKDM1AP2RX7
SCHEMBL8835568 0.85
SCHEMBL8835565 0.85
SCHEMBL8835054 0.83 EPHX2 (0.37) EPHX2PDE2A
SCHEMBL8835064 0.83 EPHX2 (0.37) EPHX2PDE2A
SCHEMBL8835703 0.83 HCRTR2 (0.34) HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed