SCHEMBL23666201

SCHEMBL23666201

C=CC1CCC(C2CCC(c3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.35
PDE2A O00408 8/20 0.33
FFAR4 Q5NUL3 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL12975898 0.99 EPHX2 (0.35) EPHX2PDE2AFFAR4KDM1A
SCHEMBL12975897 0.94 EPHX2 (0.32) EPHX2PDE2A
SCHEMBL6455021 0.89 KDM1A (0.34) EPHX2PDE2AKDM1A
SCHEMBL6455016 0.89 KDM1A (0.34) EPHX2PDE2AKDM1A
SCHEMBL23666165 0.86 CTSK (0.38) EPHX2PDE2A
SCHEMBL12975559 0.86
SCHEMBL12975539 0.86
SCHEMBL12975764 0.86
SCHEMBL12975752 0.86
SCHEMBL8768349 0.85 EPHX2 (0.39) EPHX2PDE2AFFAR4KDM1A

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-20210222067-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2021-07-22 US disclosed