SCHEMBL28110674

SCHEMBL28110674

CCCCC1(CCCC)c2ccccc2-c2ccc(I)c(I)c21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.34
PDK2 Q15119 5/20 0.34
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PGR P06401 1/20 0.31
ALOX12 P18054 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
SCHEMBL27709072 0.81 MMP2 (0.38) APEX1PDK2CHRM2CHRM1CHRM3
SCHEMBL28125425 0.81 MMP2 (0.38) APEX1PDK2CHRM2CHRM1CHRM3
SCHEMBL4454321 0.80 MMP2 (0.42) APEX1PDK2ELANE
SCHEMBL30110388 0.79 APEX1 (0.50) APEX1PDK2ELANEKDM4EPKM
SCHEMBL1394531 0.79 APEX1 (0.50) APEX1PDK2ELANEKDM4EPKM
SCHEMBL28799915 0.77 APEX1 (0.48) APEX1PDK2ELANEKDM4EPKM
Benzene SCHEMBL27655081 0.77 APEX1 (0.53) APEX1PDK2ELANEKDM4EPKM
SCHEMBL3931645 0.77 APEX1 (0.37) APEX1PDK2ELANEKDM4EPKM
SCHEMBL30606694 0.77 CYP2D6 (0.41) APEX1PDK2ELANEKDM4EPKM
SCHEMBL27756475 0.77 CYP1A2 (0.38) APEX1PDK2ELANEKDM4EPKM

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
CN-106242938-A Fluorene ethylene derivative and synthetic method thereof 沈阳大学 2016-12-21 CN disclosed
CN-106220553-A Carbazole-fluorene ethylene derivatives and synthetic method thereof 沈阳大学 2016-12-14 CN disclosed